data_3cnu_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 3cnu _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' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 120.735 0.302 . . . . 38.16 111.313 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -58.53 156.57 10.34 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.133 -0.692 . . . . 30.94 109.133 164.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.68 -38.85 79.12 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.494 -0.776 . . . . 34.79 110.654 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.33 93.19 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 110.061 -0.348 . . . . 23.69 110.061 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.77 -46.51 84.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 27.75 111.021 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -53.55 -44.98 69.69 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.652 0.739 . . . . 33.89 110.996 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.45 -38.9 81.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.498 -0.773 . . . . 25.68 112.752 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.15 -42.67 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 120.99 0.424 . . . . 22.9 110.2 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.2 -45.56 94.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.995 -0.548 . . . . 38.08 109.795 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' NZ ' ' O ' ' A' ' 204' ' ' HOH . 94.1 mttt -57.7 -43.28 85.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.789 1.033 . . . . 33.19 113.789 175.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.7 mtm -61.83 -42.19 98.72 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.975 -0.557 . . . . 32.93 111.313 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.72 -41.55 91.1 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.203 0.445 . . . . 23.38 112.203 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.48 -42.71 99.68 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.515 0.509 . . . . 25.48 111.534 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -44.7 88.55 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.505 -0.316 . . . . 27.33 111.438 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.25 -46.77 85.36 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.476 -0.784 . . . . 23.6 110.243 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -71.51 -14.48 62.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.717 1.377 . . . . 24.66 114.717 -175.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.2 p -112.36 3.07 16.77 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 112.856 0.687 . . . . 23.74 112.856 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -125.43 104.2 8.31 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.385 0.612 . . . . 33.24 111.654 -173.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -56.9 -36.08 69.72 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.343 -1.299 . . . . 40.18 113.541 -175.737 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.76 -43.8 83.11 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 112.63 0.604 . . . . 40.12 112.63 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.07 -43.15 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 108.711 -0.848 . . . . 28.2 108.711 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.16 -43.47 87.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.185 -0.461 . . . . 28.03 111.325 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 19' ' ' GLU . 67.1 mttt -58.4 -43.86 88.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 120.488 0.185 . . . . 35.43 111.332 178.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.63 -29.42 67.92 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.816 0.673 . . . . 40.93 112.816 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -89.73 -18.3 26.62 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.065 0.546 . . . . 32.73 112.198 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 151.99 29.12 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.117 -0.698 . . . . 29.87 109.117 -173.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.54 56.03 Favored Glycine 0 N--CA 1.462 0.416 0 N-CA-C 115.073 0.789 . . . . 33.68 115.073 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -128.93 144.52 51.2 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.479 0.656 . . . . 36.33 109.699 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -133.14 136.05 45.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.628 -1.169 . . . . 35.28 107.848 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.96 167.86 38.36 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 120.3 -0.167 . . . . 27.31 112.696 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.5 t -118.03 124.59 73.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 N-CA-C 106.775 -1.565 . . . . 24.0 106.775 169.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.08 114.12 43.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 N-CA-C 106.768 -1.567 . . . . 21.33 106.768 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -87.27 133.13 33.72 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 124.315 1.009 . . . . 24.0 109.993 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.98 141.54 40.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.413 -0.588 . . . . 23.09 109.413 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -138.92 101.18 4.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.34 -1.726 . . . . 23.1 106.34 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 mt -113.57 100.7 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.099 -1.074 . . . . 21.24 108.099 -174.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.16 52.53 10.2 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.237 1.018 . . . . 27.83 110.426 -170.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.05 -12.49 9.09 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 117.682 1.833 . . . . 25.11 117.682 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.01 119.13 11.46 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 106.881 -1.525 . . . . 30.62 106.881 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -112.68 126.38 55.32 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 121.905 -0.497 . . . . 32.61 111.79 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -161.03 160.88 31.12 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 107.876 -1.157 . . . . 21.62 107.876 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -144.71 161.62 38.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 113.219 0.822 . . . . 27.71 113.219 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.4 t -124.5 121.54 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 N-CA-C 106.685 -1.598 . . . . 21.27 106.685 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -87.13 121.71 29.95 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.181 -1.415 . . . . 31.94 107.181 171.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -104.33 124.05 48.49 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.528 -0.545 . . . . 24.95 109.528 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -103.6 152.08 22.17 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 124.238 0.961 . . . . 34.2 110.109 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -26.54 65.49 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.797 1.406 . . . . 32.08 114.797 -176.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -78.73 2.08 20.89 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.535 0.569 . . . . 28.18 112.535 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.34 79.59 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.917 -1.135 . . . . 25.17 114.011 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -92.34 172.16 8.58 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 118.232 1.016 . . . . 25.08 108.534 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.5 p -150.16 168.62 23.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.075 -0.511 . . . . 23.58 111.47 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.03 121.75 18.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.53 -0.759 . . . . 37.29 111.018 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -87.24 127.14 35.17 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.7 -0.852 . . . . 25.21 108.7 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -131.55 147.51 52.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.522 0.514 . . . . 37.41 112.022 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -80.14 146.18 31.96 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 115.056 -0.974 . . . . 40.11 111.885 171.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.49 -155.53 22.23 Favored Glycine 0 C--O 1.247 0.922 0 O-C-N 123.507 0.504 . . . . 25.76 114.177 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.81 123.46 71.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 123.637 0.775 . . . . 28.0 110.47 -171.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -82.83 143.95 30.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.692 -1.225 . . . . 31.21 107.692 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 76.4 p -65.44 -30.66 71.49 Favored 'General case' 0 C--O 1.25 1.085 0 N-CA-C 115.04 1.496 . . . . 35.42 115.04 -168.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -148.1 74.06 11.0 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 119.217 -0.993 . . . . 35.06 111.192 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.73 157.33 58.81 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 116.35 -1.967 . . . . 27.59 111.438 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -58.79 -48.56 80.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.243 -0.651 . . . . 24.92 109.243 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -156.45 163.93 38.85 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 115.841 -0.618 . . . . 21.63 109.788 170.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -118.36 133.15 56.12 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 114.926 -1.034 . . . . 20.37 108.653 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.1 t -98.83 115.63 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 105.971 -1.863 . . . . 19.3 105.971 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.78 102.5 14.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 105.269 -2.123 . . . . 18.92 105.269 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.51 141.76 26.67 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 116.079 -0.509 . . . . 19.65 110.544 -169.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.75 134.89 49.35 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 O-C-N 122.806 0.898 . . . . 20.15 110.257 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -59.63 -34.13 96.57 Favored 'Trans proline' 0 C--O 1.241 0.663 0 N-CA-C 116.219 1.584 . . . . 21.75 116.219 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -73.81 -34.74 64.72 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 118.406 -1.317 . . . . 37.84 110.123 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.38 -46.2 81.04 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.223 -0.591 . . . . 23.89 110.12 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.02 -35.53 80.55 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.193 -1.003 . . . . 22.48 113.043 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.49 -48.27 82.31 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 110.031 -0.359 . . . . 23.3 110.031 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.22 -39.75 79.88 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.524 -0.762 . . . . 24.92 110.926 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.88 -52.22 64.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.247 0 N-CA-C 112.462 0.542 . . . . 25.33 112.462 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.3 mt -57.1 -34.47 68.36 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.7 -0.682 . . . . 29.01 112.204 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -83.87 -2.42 56.41 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.855 1.057 . . . . 36.44 113.855 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.66 13.72 82.07 Favored Glycine 0 N--CA 1.462 0.37 0 O-C-N 121.702 -0.624 . . . . 33.69 113.345 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -81.49 -28.1 34.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 117.595 0.697 . . . . 37.09 112.73 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -124.28 164.73 18.98 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 123.046 0.538 . . . . 38.45 110.015 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 130.85 23.54 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.446 -1.316 . . . . 41.13 107.446 -173.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.95 -29.62 89.81 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 116.946 -1.569 . . . . 28.88 115.601 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -78.93 -55.85 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.363 0.529 . . . . 24.23 110.616 -174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.8 p -62.72 -37.93 88.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.544 -0.462 . . . . 20.85 110.033 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.29 -42.95 97.57 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 121.069 -0.586 . . . . 20.16 112.418 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.1 -43.11 88.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.885 0.698 . . . . 21.86 112.885 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 48.4 mtt -57.5 -35.8 70.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.321 0.648 . . . . 26.17 111.146 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 50.5 mtm -80.81 -13.86 58.58 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 116.013 1.856 . . . . 23.91 116.013 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.65 30.19 45.23 Favored Glycine 0 CA--C 1.51 -0.239 0 CA-C-O 119.979 -0.345 . . . . 19.33 113.725 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -79.42 -10.06 59.73 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.559 0.695 . . . . 30.9 112.868 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -158.37 174.05 15.72 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.157 -1.423 . . . . 20.12 107.157 168.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -133.8 166.93 21.52 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.424 1.268 . . . . 24.45 114.424 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -134.48 132.41 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.483 -1.69 . . . . 22.49 107.305 -171.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.05 129.03 56.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 31.01 110.261 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.12 140.24 6.21 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.027 -0.829 . . . . 22.02 111.027 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.64 15.25 5.41 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.801 1.037 . . . . 29.63 113.801 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.15 -30.5 50.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 119.527 -0.869 . . . . 25.5 110.378 -178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.9 ttp -59.86 -38.1 81.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.531 0.197 . . . . 29.07 111.531 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -66.4 -43.47 85.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 120.22 -0.592 . . . . 36.67 111.964 174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.69 -45.42 77.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.555 -0.535 . . . . 19.46 109.555 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.66 -42.49 98.98 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.598 0.561 . . . . 33.84 111.992 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -60.47 -46.99 88.08 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.259 0.837 . . . . 39.95 113.259 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.65 -41.85 82.29 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.518 0.199 . . . . 22.08 111.332 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.28 85.38 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.025 0.44 . . . . 24.26 110.477 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.52 -46.35 92.1 Favored Glycine 0 C--O 1.228 -0.259 0 CA-C-N 114.656 -1.157 . . . . 26.2 114.226 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.94 -50.99 78.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 118.04 0.92 . . . . 27.35 112.365 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.69 -35.81 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.885 -0.598 . . . . 33.44 111.734 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -51.63 -43.26 62.54 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.964 0.79 . . . . 39.46 109.869 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -66.67 -22.58 66.08 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.822 1.045 . . . . 40.75 113.822 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 108.406 -0.961 . . . . 35.43 108.406 168.49 . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.569 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 9' ' ' LYS . 59.6 mtt . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 120.735 0.302 . . . . 38.16 111.313 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -58.53 156.57 10.34 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.133 -0.692 . . . . 30.94 109.133 164.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.68 -38.85 79.12 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.494 -0.776 . . . . 34.79 110.654 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.33 93.19 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 110.061 -0.348 . . . . 23.69 110.061 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.77 -46.51 84.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 27.75 111.021 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -53.55 -44.98 69.69 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.652 0.739 . . . . 33.89 110.996 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.648 ' O ' ' HE2' ' A' ' 11' ' ' MET . 11.8 tp -68.45 -38.9 81.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.498 -0.773 . . . . 25.68 112.752 -178.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 93.9 mt -62.15 -42.67 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 120.99 0.424 . . . . 22.9 110.2 174.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 5.5 ttmm -61.2 -45.56 94.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.995 -0.548 . . . . 38.08 109.795 177.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -57.7 -43.28 85.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.789 1.033 . . . . 33.19 113.789 175.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . 0.648 ' HE2' ' O ' ' A' ' 7' ' ' LEU . 39.7 mtm -61.83 -42.19 98.72 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.975 -0.557 . . . . 32.93 111.313 177.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.72 -41.55 91.1 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.203 0.445 . . . . 23.38 112.203 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.48 -42.71 99.68 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.515 0.509 . . . . 25.48 111.534 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -44.7 88.55 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.505 -0.316 . . . . 27.33 111.438 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.25 -46.77 85.36 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.476 -0.784 . . . . 23.6 110.243 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.51 -14.48 62.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.717 1.377 . . . . 24.66 114.717 -175.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.2 p -112.36 3.07 16.77 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 112.856 0.687 . . . . 23.74 112.856 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -125.43 104.2 8.31 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.385 0.612 . . . . 33.24 111.654 -173.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -36.08 69.72 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.343 -1.299 . . . . 40.18 113.541 -175.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 205' ' ' HOH . 34.6 tt0 -66.76 -43.8 83.11 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 112.63 0.604 . . . . 40.12 112.63 179.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.07 -43.15 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 108.711 -0.848 . . . . 28.2 108.711 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.16 -43.47 87.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.185 -0.461 . . . . 28.03 111.325 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -58.4 -43.86 88.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 120.488 0.185 . . . . 35.43 111.332 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.63 -29.42 67.92 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.816 0.673 . . . . 40.93 112.816 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -89.73 -18.3 26.62 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.065 0.546 . . . . 32.73 112.198 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 151.99 29.12 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.117 -0.698 . . . . 29.87 109.117 -173.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.54 56.03 Favored Glycine 0 N--CA 1.462 0.416 0 N-CA-C 115.073 0.789 . . . . 33.68 115.073 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -128.93 144.52 51.2 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.479 0.656 . . . . 36.33 109.699 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -133.14 136.05 45.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.628 -1.169 . . . . 35.28 107.848 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.96 167.86 38.36 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 120.3 -0.167 . . . . 27.31 112.696 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.5 t -118.03 124.59 73.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 N-CA-C 106.775 -1.565 . . . . 24.0 106.775 169.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.08 114.12 43.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 N-CA-C 106.768 -1.567 . . . . 21.33 106.768 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -87.27 133.13 33.72 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 124.315 1.009 . . . . 24.0 109.993 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.98 141.54 40.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.413 -0.588 . . . . 23.09 109.413 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -138.92 101.18 4.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.34 -1.726 . . . . 23.1 106.34 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 mt -113.57 100.7 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.099 -1.074 . . . . 21.24 108.099 -174.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.16 52.53 10.2 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.237 1.018 . . . . 27.83 110.426 -170.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.05 -12.49 9.09 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 117.682 1.833 . . . . 25.11 117.682 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.01 119.13 11.46 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 106.881 -1.525 . . . . 30.62 106.881 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -112.68 126.38 55.32 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 121.905 -0.497 . . . . 32.61 111.79 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -161.03 160.88 31.12 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 107.876 -1.157 . . . . 21.62 107.876 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -144.71 161.62 38.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 113.219 0.822 . . . . 27.71 113.219 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.4 t -124.5 121.54 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 N-CA-C 106.685 -1.598 . . . . 21.27 106.685 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -87.13 121.71 29.95 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.181 -1.415 . . . . 31.94 107.181 171.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -104.33 124.05 48.49 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.528 -0.545 . . . . 24.95 109.528 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -103.6 152.08 22.17 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 124.238 0.961 . . . . 34.2 110.109 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -26.54 65.49 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.797 1.406 . . . . 32.08 114.797 -176.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -78.73 2.08 20.89 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.535 0.569 . . . . 28.18 112.535 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.34 79.59 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.917 -1.135 . . . . 25.17 114.011 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -92.34 172.16 8.58 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 118.232 1.016 . . . . 25.08 108.534 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.5 p -150.16 168.62 23.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.075 -0.511 . . . . 23.58 111.47 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.03 121.75 18.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.53 -0.759 . . . . 37.29 111.018 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -87.24 127.14 35.17 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.7 -0.852 . . . . 25.21 108.7 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -131.55 147.51 52.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.522 0.514 . . . . 37.41 112.022 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -80.14 146.18 31.96 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 115.056 -0.974 . . . . 40.11 111.885 171.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.49 -155.53 22.23 Favored Glycine 0 C--O 1.247 0.922 0 O-C-N 123.507 0.504 . . . . 25.76 114.177 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.81 123.46 71.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 123.637 0.775 . . . . 28.0 110.47 -171.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -82.83 143.95 30.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.692 -1.225 . . . . 31.21 107.692 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 76.4 p -65.44 -30.66 71.49 Favored 'General case' 0 C--O 1.25 1.085 0 N-CA-C 115.04 1.496 . . . . 35.42 115.04 -168.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -148.1 74.06 11.0 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 119.217 -0.993 . . . . 35.06 111.192 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.73 157.33 58.81 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 116.35 -1.967 . . . . 27.59 111.438 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -58.79 -48.56 80.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.243 -0.651 . . . . 24.92 109.243 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -156.45 163.93 38.85 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 115.841 -0.618 . . . . 21.63 109.788 170.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -118.36 133.15 56.12 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 114.926 -1.034 . . . . 20.37 108.653 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.1 t -98.83 115.63 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 105.971 -1.863 . . . . 19.3 105.971 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.78 102.5 14.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 105.269 -2.123 . . . . 18.92 105.269 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.51 141.76 26.67 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 116.079 -0.509 . . . . 19.65 110.544 -169.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.75 134.89 49.35 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 O-C-N 122.806 0.898 . . . . 20.15 110.257 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -59.63 -34.13 96.57 Favored 'Trans proline' 0 C--O 1.241 0.663 0 N-CA-C 116.219 1.584 . . . . 21.75 116.219 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -73.81 -34.74 64.72 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 118.406 -1.317 . . . . 37.84 110.123 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.38 -46.2 81.04 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.223 -0.591 . . . . 23.89 110.12 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.02 -35.53 80.55 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.193 -1.003 . . . . 22.48 113.043 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.49 -48.27 82.31 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 110.031 -0.359 . . . . 23.3 110.031 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.22 -39.75 79.88 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.524 -0.762 . . . . 24.92 110.926 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.88 -52.22 64.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.247 0 N-CA-C 112.462 0.542 . . . . 25.33 112.462 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.625 HD22 ' CE ' ' A' ' 11' ' ' MET . 76.3 mt -57.1 -34.47 68.36 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.7 -0.682 . . . . 29.01 112.204 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -83.87 -2.42 56.41 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.855 1.057 . . . . 36.44 113.855 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.66 13.72 82.07 Favored Glycine 0 N--CA 1.462 0.37 0 O-C-N 121.702 -0.624 . . . . 33.69 113.345 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -81.49 -28.1 34.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 117.595 0.697 . . . . 37.09 112.73 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -124.28 164.73 18.98 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 123.046 0.538 . . . . 38.45 110.015 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 130.85 23.54 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.446 -1.316 . . . . 41.13 107.446 -173.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.95 -29.62 89.81 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 116.946 -1.569 . . . . 28.88 115.601 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -78.93 -55.85 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.363 0.529 . . . . 24.23 110.616 -174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.8 p -62.72 -37.93 88.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.544 -0.462 . . . . 20.85 110.033 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.29 -42.95 97.57 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 121.069 -0.586 . . . . 20.16 112.418 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.1 -43.11 88.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.885 0.698 . . . . 21.86 112.885 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 48.4 mtt -57.5 -35.8 70.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.321 0.648 . . . . 26.17 111.146 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 50.5 mtm -80.81 -13.86 58.58 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 116.013 1.856 . . . . 23.91 116.013 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.65 30.19 45.23 Favored Glycine 0 CA--C 1.51 -0.239 0 CA-C-O 119.979 -0.345 . . . . 19.33 113.725 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -79.42 -10.06 59.73 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.559 0.695 . . . . 30.9 112.868 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -158.37 174.05 15.72 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.157 -1.423 . . . . 20.12 107.157 168.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -133.8 166.93 21.52 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.424 1.268 . . . . 24.45 114.424 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -134.48 132.41 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.483 -1.69 . . . . 22.49 107.305 -171.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.05 129.03 56.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 31.01 110.261 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.12 140.24 6.21 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.027 -0.829 . . . . 22.02 111.027 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.64 15.25 5.41 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.801 1.037 . . . . 29.63 113.801 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.15 -30.5 50.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 119.527 -0.869 . . . . 25.5 110.378 -178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.9 ttp -59.86 -38.1 81.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.531 0.197 . . . . 29.07 111.531 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -66.4 -43.47 85.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 120.22 -0.592 . . . . 36.67 111.964 174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.69 -45.42 77.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.555 -0.535 . . . . 19.46 109.555 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.66 -42.49 98.98 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.598 0.561 . . . . 33.84 111.992 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -60.47 -46.99 88.08 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.259 0.837 . . . . 39.95 113.259 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.65 -41.85 82.29 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.518 0.199 . . . . 22.08 111.332 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.28 85.38 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.025 0.44 . . . . 24.26 110.477 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.52 -46.35 92.1 Favored Glycine 0 C--O 1.228 -0.259 0 CA-C-N 114.656 -1.157 . . . . 26.2 114.226 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.94 -50.99 78.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 118.04 0.92 . . . . 27.35 112.365 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 107' ' ' ILE . 0.5 OUTLIER -64.69 -35.81 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.885 -0.598 . . . . 33.44 111.734 -177.386 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -51.63 -43.26 62.54 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.964 0.79 . . . . 39.46 109.869 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -66.67 -22.58 66.08 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.822 1.045 . . . . 40.75 113.822 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 108.406 -0.961 . . . . 35.43 108.406 168.49 . . . . . . . . 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 0 . 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 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.458 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 9' ' ' LYS . 59.6 mtt . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 120.735 0.302 . . . . 38.159999999999997 111.313 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -58.53 156.57 10.34 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.133 -0.692 . . . . 30.940000000000001 109.133 164.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.68 -38.85 79.12 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.494 -0.776 . . . . 34.789999999999999 110.654 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.33 93.19 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 110.061 -0.348 . . . . 23.690000000000001 110.061 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.77 -46.51 84.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.496 . . . . 27.75 111.021 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -53.55 -44.98 69.69 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.652 0.739 . . . . 33.890000000000001 110.996 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 ' O ' ' HE2' ' A' ' 11' ' ' MET . 11.8 tp -68.45 -38.9 81.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.498 -0.773 . . . . 25.68 112.752 -178.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 93.9 mt -62.15 -42.67 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 120.99 0.424 . . . . 22.899999999999999 110.2 174.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 5.5 ttmm -61.2 -45.56 94.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.995 -0.548 . . . . 38.079999999999998 109.795 177.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -57.7 -43.28 85.04 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 113.789 1.033 . . . . 33.189999999999998 113.789 175.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . 0.648 ' HE2' ' O ' ' A' ' 7' ' ' LEU . 39.7 mtm -61.83 -42.19 98.72 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.975 -0.557 . . . . 32.93 111.313 177.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 97.5 m -59.72 -41.55 91.1 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.203 0.445 . . . . 23.379999999999999 112.203 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.48 -42.71 99.68 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.515 0.509 . . . . 25.48 111.534 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.96 -44.7 88.55 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.505 -0.316 . . . . 27.329999999999998 111.438 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.25 -46.77 85.36 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 115.476 -0.784 . . . . 23.600000000000001 110.243 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.891 HD21 ' H ' ' A' ' 51' ' ' CYS . 11.9 m120 -71.51 -14.48 62.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.717 1.377 . . . . 24.66 114.717 -175.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.2 p -112.36 3.07 16.77 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 112.856 0.687 . . . . 23.739999999999998 112.856 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -125.43 104.2 8.31 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 121.385 0.612 . . . . 33.240000000000002 111.654 -173.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -36.08 69.72 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.343 -1.299 . . . . 40.18 113.541 -175.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 205' ' ' HOH . 34.6 tt0 -66.76 -43.8 83.11 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 112.63 0.604 . . . . 40.119999999999997 112.63 179.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.07 -43.15 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 108.711 -0.848 . . . . 28.199999999999999 108.711 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.16 -43.47 87.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.185 -0.461 . . . . 28.030000000000001 111.325 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -58.4 -43.86 88.77 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 120.488 0.185 . . . . 35.43 111.332 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.63 -29.42 67.92 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.816 0.673 . . . . 40.93 112.816 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 mmt -89.73 -18.3 26.62 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.065 0.546 . . . . 32.729999999999997 112.198 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.01 151.99 29.12 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.117 -0.698 . . . . 29.870000000000001 109.117 -173.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.54 -7.54 56.03 Favored Glycine 0 N--CA 1.462 0.416 0 N-CA-C 115.073 0.789 . . . . 33.68 115.073 173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -128.93 144.52 51.2 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.479 0.656 . . . . 36.329999999999998 109.699 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -133.14 136.05 45.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.628 -1.169 . . . . 35.280000000000001 107.848 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.96 167.86 38.36 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 120.3 -0.167 . . . . 27.309999999999999 112.696 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.5 t -118.03 124.59 73.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 N-CA-C 106.775 -1.565 . . . . 24.0 106.775 169.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.08 114.12 43.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 N-CA-C 106.768 -1.567 . . . . 21.329999999999998 106.768 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.536 ' NE2' ' H ' ' A' ' 58' ' ' HIS . 10.5 tp-100 -87.27 133.13 33.72 Favored 'General case' 0 C--O 1.222 -0.39 0 O-C-N 124.315 1.009 . . . . 24.0 109.993 174.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.98 141.54 40.93 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.413 -0.588 . . . . 23.09 109.413 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -138.92 101.18 4.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 106.34 -1.726 . . . . 23.100000000000001 106.34 171.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 mt -113.57 100.7 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.099 -1.074 . . . . 21.239999999999998 108.099 -174.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 46.16 52.53 10.2 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 122.237 1.018 . . . . 27.829999999999998 110.426 -170.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.05 -12.49 9.09 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 117.682 1.833 . . . . 25.109999999999999 117.682 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.01 119.13 11.46 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 106.881 -1.525 . . . . 30.620000000000001 106.881 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -112.68 126.38 55.32 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 121.905 -0.497 . . . . 32.609999999999999 111.79 -173.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -161.03 160.88 31.12 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 107.876 -1.157 . . . . 21.620000000000001 107.876 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -144.71 161.62 38.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 113.219 0.822 . . . . 27.710000000000001 113.219 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.4 t -124.5 121.54 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.278 0 N-CA-C 106.685 -1.598 . . . . 21.27 106.685 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -87.13 121.71 29.95 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.181 -1.415 . . . . 31.940000000000001 107.181 171.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -104.33 124.05 48.49 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.528 -0.545 . . . . 24.949999999999999 109.528 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -103.6 152.08 22.17 Favored 'General case' 0 C--O 1.249 1.077 0 O-C-N 124.238 0.961 . . . . 34.200000000000003 110.109 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -26.54 65.49 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.797 1.406 . . . . 32.079999999999998 114.797 -176.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -78.73 2.08 20.89 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.535 0.569 . . . . 28.18 112.535 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.34 79.59 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 119.917 -1.135 . . . . 25.170000000000002 114.011 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -92.34 172.16 8.58 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 118.232 1.016 . . . . 25.079999999999998 108.534 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.891 ' H ' HD21 ' A' ' 16' ' ' ASN . 23.5 p -150.16 168.62 23.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.075 -0.511 . . . . 23.579999999999998 111.47 -177.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.03 121.75 18.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.53 -0.759 . . . . 37.289999999999999 111.018 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -87.24 127.14 35.17 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.7 -0.852 . . . . 25.210000000000001 108.7 174.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -131.55 147.51 52.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 123.522 0.514 . . . . 37.409999999999997 112.022 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -80.14 146.18 31.96 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-N 115.056 -0.974 . . . . 40.109999999999999 111.885 171.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.49 -155.53 22.23 Favored Glycine 0 C--O 1.247 0.922 0 O-C-N 123.507 0.504 . . . . 25.760000000000002 114.177 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.81 123.46 71.75 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 123.637 0.775 . . . . 28.0 110.47 -171.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' H ' ' NE2' ' A' ' 33' ' ' GLN . 62.1 t-80 -82.83 143.95 30.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.692 -1.225 . . . . 31.210000000000001 107.692 177.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 76.4 p -65.44 -30.66 71.49 Favored 'General case' 0 C--O 1.25 1.085 0 N-CA-C 115.04 1.496 . . . . 35.420000000000002 115.04 -168.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -148.1 74.06 11.0 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 119.217 -0.993 . . . . 35.060000000000002 111.192 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.73 157.33 58.81 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 116.35 -1.967 . . . . 27.59 111.438 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -58.79 -48.56 80.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.243 -0.651 . . . . 24.920000000000002 109.243 170.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -156.45 163.93 38.85 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 115.841 -0.618 . . . . 21.629999999999999 109.788 170.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -118.36 133.15 56.12 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 114.926 -1.034 . . . . 20.370000000000001 108.653 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.1 t -98.83 115.63 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 105.971 -1.863 . . . . 19.300000000000001 105.971 176.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.78 102.5 14.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 105.269 -2.123 . . . . 18.920000000000002 105.269 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.51 141.76 26.67 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 116.079 -0.509 . . . . 19.649999999999999 110.544 -169.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.75 134.89 49.35 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 O-C-N 122.806 0.898 . . . . 20.149999999999999 110.257 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -59.63 -34.13 96.57 Favored 'Trans proline' 0 C--O 1.241 0.663 0 N-CA-C 116.219 1.584 . . . . 21.75 116.219 -173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -73.81 -34.74 64.72 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 118.406 -1.317 . . . . 37.840000000000003 110.123 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -65.38 -46.2 81.04 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.223 -0.591 . . . . 23.890000000000001 110.12 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.02 -35.53 80.55 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.193 -1.003 . . . . 22.48 113.043 -177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.49 -48.27 82.31 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 110.031 -0.359 . . . . 23.300000000000001 110.031 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.22 -39.75 79.88 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.524 -0.762 . . . . 24.920000000000002 110.926 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.88 -52.22 64.2 Favored 'Isoleucine or valine' 0 C--O 1.253 1.247 0 N-CA-C 112.462 0.542 . . . . 25.329999999999998 112.462 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.625 HD22 ' CE ' ' A' ' 11' ' ' MET . 76.3 mt -57.1 -34.47 68.36 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.7 -0.682 . . . . 29.010000000000002 112.204 179.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -83.87 -2.42 56.41 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.855 1.057 . . . . 36.439999999999998 113.855 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.66 13.72 82.07 Favored Glycine 0 N--CA 1.462 0.37 0 O-C-N 121.702 -0.624 . . . . 33.689999999999998 113.345 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -81.49 -28.1 34.24 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 117.595 0.697 . . . . 37.090000000000003 112.73 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -124.28 164.73 18.98 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 123.046 0.538 . . . . 38.450000000000003 110.015 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 130.85 23.54 Favored Pre-proline 0 N--CA 1.477 0.913 0 N-CA-C 107.446 -1.316 . . . . 41.130000000000003 107.446 -173.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.95 -29.62 89.81 Favored 'Trans proline' 0 C--O 1.211 -0.848 0 C-N-CA 116.946 -1.569 . . . . 28.879999999999999 115.601 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -78.93 -55.85 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.363 0.529 . . . . 24.23 110.616 -174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.8 p -62.72 -37.93 88.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.544 -0.462 . . . . 20.850000000000001 110.033 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.29 -42.95 97.57 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 121.069 -0.586 . . . . 20.16 112.418 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.1 -43.11 88.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.885 0.698 . . . . 21.859999999999999 112.885 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 48.4 mtt -57.5 -35.8 70.69 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.321 0.648 . . . . 26.170000000000002 111.146 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 50.5 mtm -80.81 -13.86 58.58 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 116.013 1.856 . . . . 23.91 116.013 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.65 30.19 45.23 Favored Glycine 0 CA--C 1.51 -0.239 0 CA-C-O 119.979 -0.345 . . . . 19.329999999999998 113.725 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -79.42 -10.06 59.73 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.559 0.695 . . . . 30.899999999999999 112.868 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -158.37 174.05 15.72 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 107.157 -1.423 . . . . 20.120000000000001 107.157 168.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -133.8 166.93 21.52 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.424 1.268 . . . . 24.449999999999999 114.424 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -134.48 132.41 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.483 -1.69 . . . . 22.489999999999998 107.305 -171.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.05 129.03 56.17 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 31.010000000000002 110.261 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.12 140.24 6.21 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 111.027 -0.829 . . . . 22.02 111.027 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -130.64 15.25 5.41 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.801 1.037 . . . . 29.629999999999999 113.801 -178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.15 -30.5 50.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 119.527 -0.869 . . . . 25.5 110.378 -178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 32.9 ttp -59.86 -38.1 81.2 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 111.531 0.197 . . . . 29.07 111.531 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -66.4 -43.47 85.73 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 120.22 -0.592 . . . . 36.670000000000002 111.964 174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.69 -45.42 77.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.555 -0.535 . . . . 19.460000000000001 109.555 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -61.66 -42.49 98.98 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.598 0.561 . . . . 33.840000000000003 111.992 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -60.47 -46.99 88.08 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.259 0.837 . . . . 39.950000000000003 113.259 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.65 -41.85 82.29 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.518 0.199 . . . . 22.079999999999998 111.332 175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.28 85.38 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-O 121.025 0.44 . . . . 24.260000000000002 110.477 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.52 -46.35 92.1 Favored Glycine 0 C--O 1.228 -0.259 0 CA-C-N 114.656 -1.157 . . . . 26.199999999999999 114.226 175.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.94 -50.99 78.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 118.04 0.92 . . . . 27.350000000000001 112.365 176.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 107' ' ' ILE . 0.5 OUTLIER -64.69 -35.81 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 115.885 -0.598 . . . . 33.439999999999998 111.734 -177.386 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -51.63 -43.26 62.54 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.964 0.79 . . . . 39.460000000000001 109.869 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -66.67 -22.58 66.08 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.822 1.045 . . . . 40.75 113.822 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 108.406 -0.961 . . . . 35.43 108.406 168.49 . . . . . . . . 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 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.458 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_