data_1r69_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 1r69 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.381 -0.97 . . . . 34.46 108.381 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tt -62.07 -34.59 64.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 117.268 -1.349 . . . . 18.89 114.378 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -65.31 -42.47 93.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 119.041 0.837 . . . . 25.45 111.071 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -73.51 -38.87 65.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 118.757 -1.177 . . . . 21.09 109.094 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm-85 -66.85 -33.97 76.77 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.724 0.809 . . . . 23.51 112.692 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.06 -45.28 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 O-C-N 123.854 0.721 . . . . 17.13 109.251 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.63 -51.09 70.86 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.777 1.275 . . . . 35.86 108.979 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -53.16 -46.14 68.76 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 125.68 1.592 . . . . 25.34 113.311 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -74.27 -41.55 61.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 116.997 -1.478 . . . . 20.48 112.497 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.286 29.1 ptt85 -62.51 -36.37 82.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 116.013 -2.275 . . . . 14.8 109.519 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.265 63.4 mt -64.64 -42.5 95.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 123.693 0.62 . . . . 13.05 111.749 -179.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.61 -28.83 70.17 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.31 1.044 . . . . 16.27 111.275 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -92.18 -8.39 45.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.417 1.087 . . . . 11.48 113.116 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.34 39.47 43.17 Favored Glycine 0 C--N 1.307 -1.078 0 C-N-CA 126.669 2.08 . . . . 14.65 112.067 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.26 139.69 46.44 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 118.218 1.009 . . . . 13.47 111.662 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.7 p30 -97.43 174.77 6.51 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 101.801 -3.407 . . . . 14.69 101.801 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' NE2' ' OE1' ' A' ' 35' ' ' GLU . 96.0 mt-30 -61.68 -36.07 79.82 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.86 1.43 . . . . 15.34 114.86 -179.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.69 90.17 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.785 1.303 . . . . 12.62 111.03 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -67.93 -39.56 83.47 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 124.689 1.196 . . . . 24.5 111.932 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.98 -39.79 79.18 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 125.552 1.783 . . . . 18.11 109.324 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.04 75.43 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.847 1.342 . . . . 12.19 109.983 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -63.8 -34.52 78.08 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.962 0.905 . . . . 19.36 111.798 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -70.73 -37.42 73.49 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.759 0.79 . . . . 34.27 110.448 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.59 -33.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.037 -0.983 . . . . 21.97 109.332 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.64 7.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 15.19 110.892 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -124.2 -173.51 2.78 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 14.6 108.85 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -87.92 157.22 19.01 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 125.232 1.413 . . . . 12.41 110.415 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.35 -42.35 99.33 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 125.409 1.693 . . . . 29.87 108.614 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.57 -36.49 74.03 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 127.786 2.434 . . . . 39.98 112.419 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -65.96 -38.7 89.26 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.899 1.227 . . . . 22.84 109.202 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -67.27 -41.14 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 125.149 1.531 . . . . 16.16 110.695 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.61 -43.96 97.49 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 124.67 1.188 . . . . 30.57 111.211 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.47 -33.32 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.676 1.235 . . . . 30.31 112.116 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -38.36 62.57 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.879 -0.786 . . . . 25.58 108.879 179.145 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE1' ' NE2' ' A' ' 17' ' ' GLN . 78.0 mt-10 -74.94 -18.04 60.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 117.458 -1.258 . . . . 20.04 113.453 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.43 11.27 38.22 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 125.895 1.678 . . . . 31.04 111.129 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.17 24.16 68.6 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 127.381 2.419 . . . . 21.03 116.072 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.91 -26.33 31.59 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 119.485 1.642 . . . . 43.58 113.422 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.6 p -132.23 127.64 36.19 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.256 -1.757 . . . . 33.16 106.256 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -109.57 -20.34 12.89 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 117.146 -1.407 . . . . 41.33 113.428 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -136.03 67.89 63.18 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 125.907 2.004 . . . . 23.56 113.616 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.03 162.51 22.43 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 121.787 1.658 . . . . 21.3 109.257 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.606 1.191 . . . . 34.75 109.704 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -91.29 34.21 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 115.403 -2.237 . . . . 16.82 116.412 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 11.6 mt -61.47 -44.92 93.86 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 121.487 1.948 . . . . 16.82 115.432 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 45' ' ' LEU . 48.0 Cg_exo -62.08 -39.05 52.33 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 123.539 2.826 . . . . 15.98 111.615 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.71 -30.82 64.53 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.743 0.417 . . . . 26.79 110.602 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.73 -42.08 71.01 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 124.165 0.916 . . . . 11.45 109.437 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.71 99.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 126.167 2.167 . . . . 15.56 111.469 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.4 t -66.32 -43.85 85.03 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 125.966 1.706 . . . . 25.87 112.641 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.58 -27.77 67.2 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 123.39 0.676 . . . . 12.37 112.022 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.94 -6.56 45.25 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 126.149 1.78 . . . . 12.57 112.691 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.68 39.67 97.76 Favored Glycine 0 C--O 1.245 0.826 0 N-CA-C 112.083 -0.407 . . . . 16.62 112.083 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.04 172.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 123.934 0.894 . . . . 17.84 110.384 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -88.85 162.46 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.781 -1.554 . . . . 23.9 107.004 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.69 -36.51 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 125.816 1.947 . . . . 19.62 109.497 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -56.95 -52.57 64.68 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.731 1.213 . . . . 36.09 109.117 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -54.76 -49.14 71.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 117.204 -1.379 . . . . 22.48 110.716 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.98 -53.28 55.03 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.168 0.985 . . . . 17.7 113.128 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.33 -43.75 63.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 117.118 2.266 . . . . 26.74 117.118 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . 0.594 ' ND2' ' O ' ' A' ' 102' ' ' HOH . 46.4 m-20 -106.44 -29.57 9.63 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 117.334 2.346 . . . . 31.92 117.334 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.65 21.43 56.15 Favored Glycine 0 C--N 1.313 -0.73 0 N-CA-C 110.721 -0.952 . . . . 33.21 110.721 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.265 1.914 1 CA-C-O 110.281 -4.676 . . . . 39.24 110.133 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.594 ' O ' ' ND2' ' A' ' 61' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' 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 build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.381 -0.97 . . . . 34.46 108.381 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 34' ' ' LEU . 3.7 tt -62.07 -34.59 64.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 117.268 -1.349 . . . . 18.89 114.378 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 80.8 p -65.31 -42.47 93.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 119.041 0.837 . . . . 25.45 111.071 179.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -73.51 -38.87 65.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 118.757 -1.177 . . . . 21.09 109.094 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm-85 -66.85 -33.97 76.77 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.724 0.809 . . . . 23.51 112.692 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.06 -45.28 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 O-C-N 123.854 0.721 . . . . 17.13 109.251 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.63 -51.09 70.86 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.777 1.275 . . . . 35.86 108.979 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -53.16 -46.14 68.76 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 125.68 1.592 . . . . 25.34 113.311 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -74.27 -41.55 61.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 116.997 -1.478 . . . . 20.48 112.497 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.286 29.1 ptt85 -62.51 -36.37 82.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 116.013 -2.275 . . . . 14.8 109.519 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.265 63.4 mt -64.64 -42.5 95.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 123.693 0.62 . . . . 13.05 111.749 -179.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.61 -28.83 70.17 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.31 1.044 . . . . 16.27 111.275 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -92.18 -8.39 45.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.417 1.087 . . . . 11.48 113.116 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.34 39.47 43.17 Favored Glycine 0 C--N 1.307 -1.078 0 C-N-CA 126.669 2.08 . . . . 14.65 112.067 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.26 139.69 46.44 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 118.218 1.009 . . . . 13.47 111.662 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.7 p30 -97.43 174.77 6.51 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 101.801 -3.407 . . . . 14.69 101.801 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.68 -36.07 79.82 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.86 1.43 . . . . 15.34 114.86 -179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.69 90.17 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.785 1.303 . . . . 12.62 111.03 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -67.93 -39.56 83.47 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 124.689 1.196 . . . . 24.5 111.932 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.98 -39.79 79.18 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 125.552 1.783 . . . . 18.11 109.324 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.04 75.43 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.847 1.342 . . . . 12.19 109.983 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -63.8 -34.52 78.08 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.962 0.905 . . . . 19.36 111.798 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -70.73 -37.42 73.49 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.759 0.79 . . . . 34.27 110.448 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.59 -33.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.037 -0.983 . . . . 21.97 109.332 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.64 7.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 15.19 110.892 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -124.2 -173.51 2.78 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 14.6 108.85 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -87.92 157.22 19.01 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 125.232 1.413 . . . . 12.41 110.415 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.35 -42.35 99.33 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 125.409 1.693 . . . . 29.87 108.614 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.57 -36.49 74.03 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 127.786 2.434 . . . . 39.98 112.419 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -65.96 -38.7 89.26 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.899 1.227 . . . . 22.84 109.202 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -67.27 -41.14 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 125.149 1.531 . . . . 16.16 110.695 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.61 -43.96 97.49 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 124.67 1.188 . . . . 30.57 111.211 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.47 -33.32 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.676 1.235 . . . . 30.31 112.116 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD11 HG12 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -74.62 -38.36 62.57 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.879 -0.786 . . . . 25.58 108.879 179.145 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -74.94 -18.04 60.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 117.458 -1.258 . . . . 20.04 113.453 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.43 11.27 38.22 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 125.895 1.678 . . . . 31.04 111.129 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 111' ' ' HOH . . . 64.17 24.16 68.6 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 127.381 2.419 . . . . 21.03 116.072 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.91 -26.33 31.59 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 119.485 1.642 . . . . 43.58 113.422 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.6 p -132.23 127.64 36.19 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.256 -1.757 . . . . 33.16 106.256 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -109.57 -20.34 12.89 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 117.146 -1.407 . . . . 41.33 113.428 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -136.03 67.89 63.18 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 125.907 2.004 . . . . 23.56 113.616 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.03 162.51 22.43 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 121.787 1.658 . . . . 21.3 109.257 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.606 1.191 . . . . 34.75 109.704 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -91.29 34.21 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 115.403 -2.237 . . . . 16.82 116.412 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 11.6 mt -61.47 -44.92 93.86 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 121.487 1.948 . . . . 16.82 115.432 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 45' ' ' LEU . 48.0 Cg_exo -62.08 -39.05 52.33 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 123.539 2.826 . . . . 15.98 111.615 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.71 -30.82 64.53 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.743 0.417 . . . . 26.79 110.602 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 34' ' ' LEU . 56.1 tp -70.73 -42.08 71.01 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 124.165 0.916 . . . . 11.45 109.437 -179.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 54' ' ' VAL . . . -62.38 -42.71 99.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 126.167 2.167 . . . . 15.56 111.469 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.4 t -66.32 -43.85 85.03 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 125.966 1.706 . . . . 25.87 112.641 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.58 -27.77 67.2 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 123.39 0.676 . . . . 12.37 112.022 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.94 -6.56 45.25 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 126.149 1.78 . . . . 12.57 112.691 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.68 39.67 97.76 Favored Glycine 0 C--O 1.245 0.826 0 N-CA-C 112.083 -0.407 . . . . 16.62 112.083 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -134.04 172.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 123.934 0.894 . . . . 17.84 110.384 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -88.85 162.46 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.781 -1.554 . . . . 23.9 107.004 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.69 -36.51 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 125.816 1.947 . . . . 19.62 109.497 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -56.95 -52.57 64.68 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.731 1.213 . . . . 36.09 109.117 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -54.76 -49.14 71.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 117.204 -1.379 . . . . 22.48 110.716 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.98 -53.28 55.03 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.168 0.985 . . . . 17.7 113.128 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.33 -43.75 63.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 117.118 2.266 . . . . 26.74 117.118 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 102' ' ' HOH . 46.4 m-20 -106.44 -29.57 9.63 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 117.334 2.346 . . . . 31.92 117.334 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.65 21.43 56.15 Favored Glycine 0 C--N 1.313 -0.73 0 N-CA-C 110.721 -0.952 . . . . 33.21 110.721 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.265 1.914 1 CA-C-O 110.281 -4.676 . . . . 39.24 110.133 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.46 ' O ' ' ND2' ' A' ' 61' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . 0.416 ' O ' ' HA2' ' A' ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' 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 nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.381 -0.97 . . . . 34.460000000000001 108.381 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 34' ' ' LEU . 3.7 tt -62.07 -34.59 64.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 117.268 -1.349 . . . . 18.890000000000001 114.378 -178.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 80.8 p -65.31 -42.47 93.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 119.041 0.837 . . . . 25.449999999999999 111.071 179.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.8 p -73.51 -38.87 65.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 118.757 -1.177 . . . . 21.09 109.094 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.0 mtm-85 -66.85 -33.97 76.77 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.724 0.809 . . . . 23.510000000000002 112.692 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.06 -45.28 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 O-C-N 123.854 0.721 . . . . 17.129999999999999 109.251 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.63 -51.09 70.86 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.777 1.275 . . . . 35.859999999999999 108.979 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.0 t -53.16 -46.14 68.76 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 125.68 1.592 . . . . 25.34 113.311 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -74.27 -41.55 61.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 116.997 -1.478 . . . . 20.48 112.497 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.286 29.1 ptt85 -62.51 -36.37 82.33 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 116.013 -2.275 . . . . 14.800000000000001 109.519 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.265 63.4 mt -64.64 -42.5 95.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 123.693 0.62 . . . . 13.050000000000001 111.749 -179.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.61 -28.83 70.17 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.31 1.044 . . . . 16.27 111.275 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -92.18 -8.39 45.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.417 1.087 . . . . 11.48 113.116 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.34 39.47 43.17 Favored Glycine 0 C--N 1.307 -1.078 0 C-N-CA 126.669 2.08 . . . . 14.65 112.067 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.26 139.69 46.44 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 118.218 1.009 . . . . 13.470000000000001 111.662 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.7 p30 -97.43 174.77 6.51 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 101.801 -3.407 . . . . 14.69 101.801 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.68 -36.07 79.82 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 114.86 1.43 . . . . 15.34 114.86 -179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.69 90.17 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.785 1.303 . . . . 12.619999999999999 111.03 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -67.93 -39.56 83.47 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 124.689 1.196 . . . . 24.5 111.932 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.98 -39.79 79.18 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 125.552 1.783 . . . . 18.109999999999999 109.324 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.04 75.43 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 124.847 1.342 . . . . 12.19 109.983 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -63.8 -34.52 78.08 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.962 0.905 . . . . 19.359999999999999 111.798 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -70.73 -37.42 73.49 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.759 0.79 . . . . 34.270000000000003 110.448 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.9 t -80.59 -33.27 13.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.037 -0.983 . . . . 21.969999999999999 109.332 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.64 7.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 15.19 110.892 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 t -124.2 -173.51 2.78 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.85 -0.796 . . . . 14.6 108.85 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.1 p -87.92 157.22 19.01 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 125.232 1.413 . . . . 12.41 110.415 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -62.35 -42.35 99.33 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 125.409 1.693 . . . . 29.870000000000001 108.614 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.57 -36.49 74.03 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 127.786 2.434 . . . . 39.979999999999997 112.419 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -65.96 -38.7 89.26 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.899 1.227 . . . . 22.84 109.202 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -67.27 -41.14 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 125.149 1.531 . . . . 16.16 110.695 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.61 -43.96 97.49 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 124.67 1.188 . . . . 30.57 111.211 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.47 -33.32 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 124.676 1.235 . . . . 30.309999999999999 112.116 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD11 HG12 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -74.62 -38.36 62.57 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.879 -0.786 . . . . 25.579999999999998 108.879 179.145 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -74.94 -18.04 60.46 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 117.458 -1.258 . . . . 20.039999999999999 113.453 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.43 11.27 38.22 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 125.895 1.678 . . . . 31.039999999999999 111.129 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 111' ' ' HOH . . . 64.17 24.16 68.6 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 127.381 2.419 . . . . 21.030000000000001 116.072 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.91 -26.33 31.59 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 119.485 1.642 . . . . 43.579999999999998 113.422 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.6 p -132.23 127.64 36.19 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 106.256 -1.757 . . . . 33.159999999999997 106.256 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -109.57 -20.34 12.89 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 117.146 -1.407 . . . . 41.329999999999998 113.428 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -136.03 67.89 63.18 Favored Pre-proline 0 N--CA 1.472 0.666 0 O-C-N 125.907 2.004 . . . . 23.559999999999999 113.616 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.03 162.51 22.43 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 121.787 1.658 . . . . 21.300000000000001 109.257 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -72.86 -27.18 61.77 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.606 1.191 . . . . 34.75 109.704 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -91.29 34.21 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 115.403 -2.237 . . . . 16.82 116.412 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 11.6 mt -61.47 -44.92 93.86 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 121.487 1.948 . . . . 16.82 115.432 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 45' ' ' LEU . 48.0 Cg_exo -62.08 -39.05 52.33 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 123.539 2.826 . . . . 15.98 111.615 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.71 -30.82 64.53 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.743 0.417 . . . . 26.789999999999999 110.602 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 34' ' ' LEU . 56.1 tp -70.73 -42.08 71.01 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 124.165 0.916 . . . . 11.449999999999999 109.437 -179.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 54' ' ' VAL . . . -62.38 -42.71 99.63 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 126.167 2.167 . . . . 15.56 111.469 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.4 t -66.32 -43.85 85.03 Favored 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 125.966 1.706 . . . . 25.870000000000001 112.641 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.58 -27.77 67.2 Favored 'General case' 0 C--O 1.248 0.986 0 C-N-CA 123.39 0.676 . . . . 12.369999999999999 112.022 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.94 -6.56 45.25 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 126.149 1.78 . . . . 12.57 112.691 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.68 39.67 97.76 Favored Glycine 0 C--O 1.245 0.826 0 N-CA-C 112.083 -0.407 . . . . 16.620000000000001 112.083 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' HB1' ' A' ' 49' ' ' ALA . 9.1 m -134.04 172.17 16.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 123.934 0.894 . . . . 17.84 110.384 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.8 p -88.85 162.46 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.781 -1.554 . . . . 23.899999999999999 107.004 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.69 -36.51 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 125.816 1.947 . . . . 19.620000000000001 109.497 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -56.95 -52.57 64.68 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.731 1.213 . . . . 36.090000000000003 109.117 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -54.76 -49.14 71.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 117.204 -1.379 . . . . 22.48 110.716 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.98 -53.28 55.03 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.168 0.985 . . . . 17.699999999999999 113.128 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.33 -43.75 63.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 117.118 2.266 . . . . 26.739999999999998 117.118 -178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 102' ' ' HOH . 46.4 m-20 -106.44 -29.57 9.63 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 117.334 2.346 . . . . 31.920000000000002 117.334 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.65 21.43 56.15 Favored Glycine 0 C--N 1.313 -0.73 0 N-CA-C 110.721 -0.952 . . . . 33.210000000000001 110.721 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 79.4 m . . . . . 0 C--O 1.265 1.914 1 CA-C-O 110.281 -4.676 . . . . 39.240000000000002 110.133 179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.46 ' O ' ' ND2' ' A' ' 61' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . 0.416 ' O ' ' HA2' ' A' ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' 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 stop_ save_