data_1smw_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 1smw _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 . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.517 2.899 0 N-CA-C 109.26 -0.645 . . . . 14.57 109.26 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -99.7 157.2 16.65 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.413 -1.315 . . . . 17.17 113.851 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.93 157.78 24.17 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.479 -2.045 . . . . 15.54 105.479 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.39 144.59 51.33 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 106.288 -1.745 . . . . 7.07 106.288 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 10.2 t -121.22 147.99 44.87 Favored 'General case' 0 C--N 1.285 -2.238 0 C-N-CA 117.159 -1.816 . . . . 8.51 111.053 179.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 t -77.58 117.33 18.91 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.516 -2.772 . . . . 5.42 103.516 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -77.43 0.13 23.77 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 118.959 -1.096 . . . . 7.81 113.012 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 t -95.95 -48.13 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 118.439 -1.304 . . . . 6.78 107.713 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.26 -13.29 13.99 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.612 2.078 . . . . 5.81 116.612 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.2 -8.51 60.79 Favored Glycine 0 CA--C 1.55 2.261 0 CA-C-N 120.721 1.6 . . . . 5.42 113.281 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.65 145.81 22.6 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 119.909 1.854 . . . . 11.07 108.587 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' HA ' HD11 ' A' ' 12' ' ' ILE . 41.2 mm -113.96 124.91 71.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 CA-C-N 114.789 -1.096 . . . . 11.21 111.284 179.637 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -91.82 121.89 33.85 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 103.608 -2.738 . . . . 5.95 103.608 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . 0.628 HD21 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -111.27 114.56 53.2 Favored Pre-proline 0 N--CA 1.508 2.473 0 N-CA-C 105.31 -2.107 . . . . 13.05 105.31 179.365 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' N ' HD21 ' A' ' 14' ' ' ASN . 43.1 Cg_endo -58.24 -25.49 72.35 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 O-C-N 123.739 1.389 . . . . 9.06 113.834 -178.685 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' ND2' ' A' ' 14' ' ' ASN . 4.2 pt-20 -71.98 -25.26 61.78 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 118.226 -1.389 . . . . 21.85 110.284 -179.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD2' ' HG3' ' A' ' 16' ' ' GLU . 65.8 m-20 -99.66 -25.42 14.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.816 -0.553 . . . . 14.61 111.453 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.26 -152.23 51.34 Favored Glycine 0 CA--C 1.577 3.933 0 N-CA-C 108.162 -1.975 . . . . 7.87 108.162 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . 0.491 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 43.4 t0 -151.61 64.99 6.23 Favored Pre-proline 0 N--CA 1.497 1.893 1 N-CA-C 100.043 -4.058 . . . . 9.75 100.043 178.539 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -53.35 -35.35 74.65 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 N-CA-C 117.641 2.131 . . . . 7.8 117.641 -177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.34 -20.02 65.84 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 119.261 0.937 . . . . 16.54 110.336 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -112.74 22.7 14.24 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 120.903 0.382 . . . . 11.43 110.845 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.33 16.76 77.65 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 118.919 2.328 . . . . 7.52 118.919 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 88.9 t -111.85 107.19 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 104.062 -2.57 . . . . 6.52 104.062 179.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -75.07 153.71 86.54 Favored Pre-proline 0 C--N 1.285 -2.224 0 N-CA-C 114.332 1.234 . . . . 6.49 114.332 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -56.75 144.69 86.15 Favored 'Trans proline' 0 N--CA 1.437 -1.811 0 N-CA-C 106.958 -1.978 . . . . 9.63 106.958 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.37 70.1 Favored Glycine 0 CA--C 1.554 2.505 0 CA-C-N 115.346 -0.843 . . . . 10.29 112.179 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 m -88.49 125.92 34.99 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.103 -1.822 . . . . 7.89 110.754 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -69.84 142.73 53.03 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.669 -2.345 . . . . 14.55 104.669 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.97 -42.02 47.93 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.888 1.07 . . . . 5.99 113.888 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.287 22.7 ttpp -57.57 -31.42 66.12 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 112.38 0.511 . . . . 13.88 112.38 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.99 -2.76 58.81 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 113.616 0.969 . . . . 10.94 113.616 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' HB ' ' HE3' ' A' ' 46' ' ' LYS . 43.9 mt -70.01 134.14 87.72 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 105.568 -2.012 . . . . 6.64 105.568 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.405 31.8 Cg_endo -51.45 132.7 41.04 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 CA-C-O 124.251 1.688 . . . . 8.57 110.381 178.297 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.1 -2.08 0.85 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 118.206 2.669 . . . . 6.27 118.206 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -101.78 1.26 37.04 Favored 'General case' 0 C--O 1.194 -1.842 0 N-CA-C 108.025 -1.102 . . . . 11.52 108.025 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.25 78.2 t90 -69.82 148.67 48.8 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 106.94 -1.504 . . . . 6.93 106.94 178.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.08 162.05 35.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 7.91 108.515 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.69 127.57 73.82 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 108.686 -0.857 . . . . 5.66 108.686 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' O ' ' O ' ' A' ' 240' ' ' HOH . 46.8 Cg_endo -67.2 -20.35 49.67 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 O-C-N 124.151 1.606 . . . . 9.13 112.524 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.81 -40.35 10.7 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 119.211 -0.995 . . . . 10.32 112.491 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.01 -7.9 9.85 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 121.033 1.742 . . . . 8.68 115.341 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.12 2.3 90.54 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.494 -2.281 . . . . 7.94 117.157 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -76.48 166.06 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 122.956 3.378 . . . . 7.97 109.549 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.01 164.32 54.95 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-O 123.248 1.471 . . . . 6.96 115.153 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HE3' ' HB ' ' A' ' 33' ' ' ILE . 16.3 mtpt -58.27 -25.98 62.42 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.196 -1.002 . . . . 8.0 109.654 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -67.26 -6.13 17.0 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 119.37 -0.932 . . . . 13.82 112.623 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -98.22 2.09 47.98 Favored 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 119.224 -0.99 . . . . 8.77 108.902 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 5' ' ' THR . 23.8 m-85 -92.13 156.71 17.17 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 122.564 1.173 . . . . 5.98 109.949 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -142.51 146.56 34.84 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-O 122.805 1.288 . . . . 18.07 108.007 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -63.48 136.69 57.76 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.16 -1.382 . . . . 11.81 109.508 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.21 112.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 102.059 -3.311 . . . . 12.86 102.059 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -82.75 127.15 33.16 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 119.042 -2.286 . . . . 21.52 107.546 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.527 3.404 0 C-N-CA 119.744 -0.783 . . . . 27.85 108.917 -178.877 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' FE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.517 2.899 0 N-CA-C 109.26 -0.645 . . . . 14.57 109.26 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -99.7 157.2 16.65 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.413 -1.315 . . . . 17.17 113.851 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.93 157.78 24.17 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.479 -2.045 . . . . 15.54 105.479 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.39 144.59 51.33 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 106.288 -1.745 . . . . 7.07 106.288 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -121.22 147.99 44.87 Favored 'General case' 0 C--N 1.285 -2.238 0 C-N-CA 117.159 -1.816 . . . . 8.51 111.053 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 t -77.58 117.33 18.91 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.516 -2.772 . . . . 5.42 103.516 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -77.43 0.13 23.77 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 118.959 -1.096 . . . . 7.34 113.012 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 t -95.95 -48.13 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 118.439 -1.304 . . . . 6.26 107.713 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.26 -13.29 13.99 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.612 2.078 . . . . 5.81 116.612 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.2 -8.51 60.79 Favored Glycine 0 CA--C 1.55 2.261 0 CA-C-N 120.721 1.6 . . . . 5.42 113.281 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.65 145.81 22.6 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 119.909 1.854 . . . . 11.07 108.587 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.96 124.91 71.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 CA-C-N 114.789 -1.096 . . . . 11.21 111.284 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -91.82 121.89 33.85 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 103.608 -2.738 . . . . 5.95 103.608 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -111.27 114.56 53.2 Favored Pre-proline 0 N--CA 1.508 2.473 0 N-CA-C 105.31 -2.107 . . . . 13.05 105.31 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -58.24 -25.49 72.35 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 O-C-N 123.739 1.389 . . . . 9.06 113.834 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -71.98 -25.26 61.78 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 118.226 -1.389 . . . . 21.85 110.284 -179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -99.66 -25.42 14.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.816 -0.553 . . . . 14.61 111.453 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.26 -152.23 51.34 Favored Glycine 0 CA--C 1.577 3.933 0 N-CA-C 108.162 -1.975 . . . . 7.58 108.162 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -151.61 64.99 6.23 Favored Pre-proline 0 N--CA 1.497 1.893 1 N-CA-C 100.043 -4.058 . . . . 9.75 100.043 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -53.35 -35.35 74.65 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 N-CA-C 117.641 2.131 . . . . 7.8 117.641 -177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.34 -20.02 65.84 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 119.261 0.937 . . . . 16.54 110.336 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -112.74 22.7 14.24 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 120.903 0.382 . . . . 11.43 110.845 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.33 16.76 77.65 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 118.919 2.328 . . . . 7.25 118.919 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t -111.85 107.19 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 104.062 -2.57 . . . . 5.84 104.062 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -75.07 153.71 86.54 Favored Pre-proline 0 C--N 1.285 -2.224 0 N-CA-C 114.332 1.234 . . . . 6.49 114.332 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -56.75 144.69 86.15 Favored 'Trans proline' 0 N--CA 1.437 -1.811 0 N-CA-C 106.958 -1.978 . . . . 9.63 106.958 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.37 70.1 Favored Glycine 0 CA--C 1.554 2.505 0 CA-C-N 115.346 -0.843 . . . . 10.29 112.179 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 m -88.49 125.92 34.99 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.103 -1.822 . . . . 7.87 110.754 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -69.84 142.73 53.03 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.669 -2.345 . . . . 14.55 104.669 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.97 -42.02 47.93 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.888 1.07 . . . . 5.76 113.888 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.287 22.7 ttpp -57.57 -31.42 66.12 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 112.38 0.511 . . . . 13.88 112.38 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.99 -2.76 58.81 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 113.616 0.969 . . . . 10.94 113.616 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -70.01 134.14 87.72 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 105.568 -2.012 . . . . 6.46 105.568 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.405 31.8 Cg_endo -51.45 132.7 41.04 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 CA-C-O 124.251 1.688 . . . . 8.45 110.381 178.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.1 -2.08 0.85 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 118.206 2.669 . . . . 6.27 118.206 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -101.78 1.26 37.04 Favored 'General case' 0 C--O 1.194 -1.842 0 N-CA-C 108.025 -1.102 . . . . 11.52 108.025 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.25 78.2 t90 -69.82 148.67 48.8 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 106.94 -1.504 . . . . 6.93 106.94 178.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.08 162.05 35.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 7.52 108.515 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.69 127.57 73.82 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 108.686 -0.857 . . . . 5.65 108.686 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' O ' ' O ' ' A' ' 240' ' ' HOH . 46.8 Cg_endo -67.2 -20.35 49.67 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 O-C-N 124.151 1.606 . . . . 9.13 112.524 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.81 -40.35 10.7 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 119.211 -0.995 . . . . 10.32 112.491 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.01 -7.9 9.85 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 121.033 1.742 . . . . 8.68 115.341 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.12 2.3 90.54 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.494 -2.281 . . . . 7.94 117.157 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -76.48 166.06 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 122.956 3.378 . . . . 7.67 109.549 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.01 164.32 54.95 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-O 123.248 1.471 . . . . 6.73 115.153 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -58.27 -25.98 62.42 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.196 -1.002 . . . . 8.0 109.654 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -67.26 -6.13 17.0 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 119.37 -0.932 . . . . 13.82 112.623 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -98.22 2.09 47.98 Favored 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 119.224 -0.99 . . . . 8.77 108.902 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -92.13 156.71 17.17 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 122.564 1.173 . . . . 5.98 109.949 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -142.51 146.56 34.84 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-O 122.805 1.288 . . . . 18.07 108.007 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -63.48 136.69 57.76 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.16 -1.382 . . . . 11.81 109.508 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.21 112.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 102.059 -3.311 . . . . 12.86 102.059 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -82.75 127.15 33.16 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 119.042 -2.286 . . . . 21.52 107.546 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.527 3.404 0 C-N-CA 119.744 -0.783 . . . . 27.85 108.917 -178.877 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' FE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.517 2.899 0 N-CA-C 109.26 -0.645 . . . . 14.57 109.26 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -99.7 157.2 16.65 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.413 -1.315 . . . . 17.170000000000002 113.851 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -81.93 157.78 24.17 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.479 -2.045 . . . . 15.539999999999999 105.479 177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.39 144.59 51.33 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 106.288 -1.745 . . . . 7.0700000000000003 106.288 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -121.22 147.99 44.87 Favored 'General case' 0 C--N 1.285 -2.238 0 C-N-CA 117.159 -1.816 . . . . 8.5099999999999998 111.053 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 t -77.58 117.33 18.91 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 103.516 -2.772 . . . . 5.4199999999999999 103.516 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -77.43 0.13 23.77 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 118.959 -1.096 . . . . 7.3399999999999999 113.012 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 t -95.95 -48.13 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 118.439 -1.304 . . . . 6.2599999999999998 107.713 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 p -111.26 -13.29 13.99 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.612 2.078 . . . . 5.8099999999999996 116.612 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.2 -8.51 60.79 Favored Glycine 0 CA--C 1.55 2.261 0 CA-C-N 120.721 1.6 . . . . 5.4199999999999999 113.281 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.65 145.81 22.6 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 119.909 1.854 . . . . 11.07 108.587 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.96 124.91 71.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 CA-C-N 114.789 -1.096 . . . . 11.210000000000001 111.284 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -91.82 121.89 33.85 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 103.608 -2.738 . . . . 5.9500000000000002 103.608 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -111.27 114.56 53.2 Favored Pre-proline 0 N--CA 1.508 2.473 0 N-CA-C 105.31 -2.107 . . . . 13.050000000000001 105.31 179.365 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -58.24 -25.49 72.35 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 O-C-N 123.739 1.389 . . . . 9.0600000000000005 113.834 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' HG2' ' ND2' ' A' ' 14' ' ' ASN . 4.2 pt-20 -71.98 -25.26 61.78 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 118.226 -1.389 . . . . 21.850000000000001 110.284 -179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -99.66 -25.42 14.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.816 -0.553 . . . . 14.609999999999999 111.453 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.26 -152.23 51.34 Favored Glycine 0 CA--C 1.577 3.933 0 N-CA-C 108.162 -1.975 . . . . 7.5800000000000001 108.162 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -151.61 64.99 6.23 Favored Pre-proline 0 N--CA 1.497 1.893 1 N-CA-C 100.043 -4.058 . . . . 9.75 100.043 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -53.35 -35.35 74.65 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 N-CA-C 117.641 2.131 . . . . 7.7999999999999998 117.641 -177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.34 -20.02 65.84 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 119.261 0.937 . . . . 16.539999999999999 110.336 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -112.74 22.7 14.24 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 120.903 0.382 . . . . 11.43 110.845 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.33 16.76 77.65 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 118.919 2.328 . . . . 7.25 118.919 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.9 t -111.85 107.19 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 104.062 -2.57 . . . . 5.8399999999999999 104.062 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -75.07 153.71 86.54 Favored Pre-proline 0 C--N 1.285 -2.224 0 N-CA-C 114.332 1.234 . . . . 6.4900000000000002 114.332 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -56.75 144.69 86.15 Favored 'Trans proline' 0 N--CA 1.437 -1.811 0 N-CA-C 106.958 -1.978 . . . . 9.6300000000000008 106.958 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.37 70.1 Favored Glycine 0 CA--C 1.554 2.505 0 CA-C-N 115.346 -0.843 . . . . 10.289999999999999 112.179 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.7 m -88.49 125.92 34.99 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.103 -1.822 . . . . 7.8700000000000001 110.754 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -69.84 142.73 53.03 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.669 -2.345 . . . . 14.550000000000001 104.669 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -49.97 -42.02 47.93 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 113.888 1.07 . . . . 5.7599999999999998 113.888 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.287 22.7 ttpp -57.57 -31.42 66.12 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 112.38 0.511 . . . . 13.880000000000001 112.38 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.99 -2.76 58.81 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 113.616 0.969 . . . . 10.94 113.616 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -70.01 134.14 87.72 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 105.568 -2.012 . . . . 6.46 105.568 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . 0.405 31.8 Cg_endo -51.45 132.7 41.04 Favored 'Trans proline' 0 CA--C 1.562 1.896 0 CA-C-O 124.251 1.688 . . . . 8.4499999999999993 110.381 178.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.1 -2.08 0.85 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 118.206 2.669 . . . . 6.2699999999999996 118.206 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -101.78 1.26 37.04 Favored 'General case' 0 C--O 1.194 -1.842 0 N-CA-C 108.025 -1.102 . . . . 11.52 108.025 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . 0.25 78.2 t90 -69.82 148.67 48.8 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 106.94 -1.504 . . . . 6.9299999999999997 106.94 178.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.08 162.05 35.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 7.5199999999999996 108.515 179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -56.69 127.57 73.82 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 108.686 -0.857 . . . . 5.6500000000000004 108.686 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' O ' ' O ' ' A' ' 240' ' ' HOH . 46.8 Cg_endo -67.2 -20.35 49.67 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 O-C-N 124.151 1.606 . . . . 9.1300000000000008 112.524 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.81 -40.35 10.7 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 119.211 -0.995 . . . . 10.32 112.491 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.01 -7.9 9.85 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 121.033 1.742 . . . . 8.6799999999999997 115.341 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.12 2.3 90.54 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.494 -2.281 . . . . 7.9400000000000004 117.157 178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -76.48 166.06 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 122.956 3.378 . . . . 7.6699999999999999 109.549 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.01 164.32 54.95 Favored Glycine 0 N--CA 1.498 2.827 0 CA-C-O 123.248 1.471 . . . . 6.7300000000000004 115.153 -179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -58.27 -25.98 62.42 Favored 'General case' 0 C--O 1.199 -1.579 0 CA-C-N 114.196 -1.002 . . . . 8.0 109.654 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -67.26 -6.13 17.0 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 119.37 -0.932 . . . . 13.82 112.623 -179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -98.22 2.09 47.98 Favored 'General case' 0 N--CA 1.501 2.112 0 C-N-CA 119.224 -0.99 . . . . 8.7699999999999996 108.902 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -92.13 156.71 17.17 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 122.564 1.173 . . . . 5.9800000000000004 109.949 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -142.51 146.56 34.84 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-O 122.805 1.288 . . . . 18.07 108.007 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -63.48 136.69 57.76 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 114.16 -1.382 . . . . 11.81 109.508 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.21 112.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 102.059 -3.311 . . . . 12.859999999999999 102.059 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -82.75 127.15 33.16 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 119.042 -2.286 . . . . 21.52 107.546 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.527 3.404 0 C-N-CA 119.744 -0.783 . . . . 27.850000000000001 108.917 -178.877 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' FE2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_