data_6xsb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6xsb _Structure_validation_residue.Date_analyzed 2020-08-14 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 ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 118.12 -0.943 . . . . 36.76 109.527 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -148.56 155.83 41.63 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 113.647 0.98 . . . . 45.98 113.647 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -88.37 135.86 33.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.183 -1.826 . . . . 43.77 110.237 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -124.42 153.02 69.13 Favored Pre-proline 0 C--N 1.315 -0.894 0 O-C-N 124.781 1.301 . . . . 28.98 108.446 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -76.55 156.53 36.2 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.563 1.509 . . . . 29.15 110.044 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 160.8 20.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.964 -1.495 . . . . 25.64 106.964 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -124.2 144.6 49.84 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 109.208 -0.664 . . . . 29.25 109.208 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.19 129.77 43.54 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.69 1.244 . . . . 28.31 107.811 176.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.99 -57.35 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 106.05 -1.833 . . . . 28.62 106.05 159.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.17 133.14 7.55 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.185 0.928 . . . . 50.73 111.82 -174.833 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.27 138.6 58.23 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 125.135 1.522 . . . . 29.71 108.355 165.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -118.12 -72.19 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 CA-C-O 117.077 -1.44 . . . . 25.98 108.489 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -146.58 -160.33 1.14 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.242 0.928 . . . . 26.26 109.301 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.8 -43.06 92.2 Favored Glycine 0 N--CA 1.479 1.502 0 CA-C-O 119.647 -0.529 . . . . 22.37 112.271 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p30 -123.9 14.83 9.28 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 117.534 -1.222 . . . . 18.99 111.698 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -132.69 144.35 50.26 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 119.308 0.958 . . . . 24.58 110.242 171.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.9 149.13 14.86 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 O-C-N 124.456 1.098 . . . . 25.5 109.418 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 323' ' ' HOH . 9.0 tttm -97.95 119.42 36.54 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 107.155 -1.424 . . . . 39.36 107.155 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.4 mt -124.74 158.73 32.55 Favored 'General case' 0 C--O 1.253 1.271 0 N-CA-C 107.729 -1.211 . . . . 21.65 107.729 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttm -100.76 122.46 43.42 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.121 -1.437 . . . . 35.39 107.121 167.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.71 127.12 36.21 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.641 -1.244 . . . . 26.05 107.641 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttt 38.28 47.93 1.09 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.107 0.879 . . . . 51.24 110.897 -164.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.69 87.61 Favored Glycine 0 C--O 1.255 1.463 0 CA-C-O 115.486 -2.841 . . . . 24.7 114.411 170.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -120.62 138.21 27.23 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 119.31 1.555 . . . . 23.64 109.702 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -71.45 144.31 45.03 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 N-CA-C 107.908 -1.612 . . . . 28.03 107.908 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -160.35 131.49 5.71 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.695 -0.854 . . . . 45.93 108.695 -170.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.5 m -82.49 125.38 31.03 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 124.542 1.151 . . . . 23.66 107.947 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.51 129.3 52.55 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 125.156 1.535 . . . . 18.74 111.034 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -98.41 125.44 43.56 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 125.689 1.868 . . . . 19.19 108.026 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.95 128.29 36.15 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 107.426 -1.324 . . . . 21.6 107.426 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.92 141.14 58.88 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 117.623 -1.179 . . . . 17.7 110.945 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 mt 75.02 10.74 3.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.383 2.302 . . . . 20.93 111.114 159.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 m -130.7 161.67 40.18 Favored 'Isoleucine or valine' 0 C--O 1.259 1.605 0 CA-C-N 118.949 0.795 . . . . 17.76 111.009 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -141.01 112.16 7.27 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 107.718 -1.216 . . . . 24.14 107.718 172.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -85.67 148.71 49.57 Favored Pre-proline 0 N--CA 1.486 1.326 0 O-C-N 124.958 1.411 . . . . 22.28 109.798 168.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.34 150.38 59.21 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 109.155 -1.133 . . . . 28.88 109.155 168.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.3 157.29 32.04 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 106.698 -1.593 . . . . 41.43 106.698 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.32 -38.4 63.16 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 124.359 1.037 . . . . 48.3 109.969 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.01 -9.16 59.46 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 116.598 -1.667 . . . . 50.99 110.875 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -93.0 171.29 9.04 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 119.874 1.215 . . . . 49.62 110.243 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -65.47 129.83 41.14 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 108.515 -0.921 . . . . 55.42 108.515 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 72.6 -2.76 2.54 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 126.388 1.875 . . . . 45.39 112.022 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.0 -57.49 14.55 Favored Glycine 0 N--CA 1.478 1.458 0 CA-C-N 119.921 1.237 . . . . 31.2 112.768 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -57.26 -41.2 75.92 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.462 2.108 . . . . 32.54 113.026 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -68.28 -42.3 79.74 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.256 1.598 . . . . 38.9 108.85 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.91 79.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.98 0.8 . . . . 27.44 110.774 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -62.6 -47.71 82.62 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 117.897 -1.049 . . . . 27.81 109.635 -178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.2 -46.59 82.74 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 126.298 1.839 . . . . 27.89 109.494 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.47 -56.95 15.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.951 1.407 . . . . 26.89 112.135 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.8 m -59.92 -41.66 92.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.523 0.729 . . . . 24.93 109.507 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -63.02 -47.94 80.92 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.64 1.213 . . . . 36.57 109.071 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.64 -41.85 78.82 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.767 1.292 . . . . 45.65 108.37 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -48.25 78.96 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 118.399 -0.81 . . . . 29.95 108.9 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -81.52 -32.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 116.697 -1.621 . . . . 28.4 110.273 -171.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.31 -35.58 66.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 125.354 1.659 . . . . 33.42 109.816 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -79.13 -17.06 55.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 117.793 -1.098 . . . . 40.03 110.709 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.05 133.36 45.22 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.822 0.737 . . . . 34.14 109.446 -173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -81.97 -26.23 34.13 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.101 -1.444 . . . . 50.25 107.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -136.8 114.31 11.0 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.933 0.771 . . . . 46.18 110.621 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.4 mm -95.04 133.41 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 125.532 1.77 . . . . 25.42 107.936 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.59 148.85 50.81 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 125.292 1.62 . . . . 28.73 110.164 171.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -117.14 140.7 38.77 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 N-CA-C 107.371 -1.344 . . . . 25.26 107.371 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -130.07 106.4 8.6 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.472 -1.677 . . . . 27.24 106.472 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -71.47 150.67 44.67 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 125.113 1.508 . . . . 30.53 108.926 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' OD1' ' OG1' ' A' ' 120' ' ' THR . 5.2 t0 -88.8 -167.8 1.99 Allowed 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.345 -1.724 . . . . 29.82 106.345 170.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -88.85 -8.32 54.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 117.658 -1.163 . . . . 53.13 110.87 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.4 -145.75 12.33 Favored Glycine 0 C--O 1.255 1.441 0 O-C-N 123.921 0.763 . . . . 34.04 112.916 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.42 131.52 28.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.16 1.384 . . . . 45.32 108.132 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -105.96 -13.24 15.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.993 -1.003 . . . . 33.53 111.511 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -134.17 141.34 47.03 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 106.711 -1.588 . . . . 36.98 106.711 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -87.64 -174.3 4.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.446 -0.946 . . . . 23.87 108.446 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -70.44 -15.26 62.8 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 118.834 -0.603 . . . . 29.46 110.665 -175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.89 3.08 55.39 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.746 -1.121 . . . . 31.59 109.223 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.69 1.11 90.06 Favored Glycine 0 N--CA 1.471 1.021 0 CA-C-O 118.558 -1.134 . . . . 25.54 112.24 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -71.18 139.97 50.36 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.914 1.357 . . . . 21.72 108.69 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.38 140.28 44.74 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 108.216 -1.954 . . . . 21.74 108.216 169.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.0 mt -112.24 114.19 26.84 Favored 'General case' 0 C--O 1.261 1.658 0 N-CA-C 108.445 -0.946 . . . . 22.68 108.445 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.28 167.95 27.64 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-O 122.364 1.078 . . . . 17.82 112.794 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -89.41 131.92 35.24 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-N 112.743 -2.026 . . . . 20.13 106.158 160.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.2 mm -113.28 132.86 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.547 -1.279 . . . . 20.55 107.547 -175.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -118.91 139.83 50.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.113 -0.946 . . . . 21.77 108.787 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.13 104.68 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 125.859 1.974 . . . . 23.86 107.425 175.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.25 50.83 15.53 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 107.618 -1.253 . . . . 30.32 107.618 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.93 -8.42 60.14 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 116.043 -2.532 . . . . 27.54 113.677 171.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -100.73 132.12 46.28 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.807 1.803 . . . . 50.13 110.768 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.1 ttm -79.06 117.62 20.28 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 124.516 1.135 . . . . 20.91 108.514 -174.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.1 t -57.8 -44.61 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.997 0.919 . . . . 18.44 108.674 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.51 -49.33 67.79 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.053 -1.462 . . . . 18.62 107.053 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -71.85 -42.24 67.14 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.435 -0.95 . . . . 25.03 108.435 -171.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.91 99.55 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.533 1.146 . . . . 21.41 109.75 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.58 -45.79 92.66 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 119.425 1.011 . . . . 20.76 108.709 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.77 -45.26 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.84 -1.17 . . . . 20.93 107.84 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -58.21 -37.65 75.23 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 118.531 -0.747 . . . . 31.26 109.072 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -86.15 0.39 53.71 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.086 -0.959 . . . . 36.66 110.653 -175.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 30.24 72.57 Favored Glycine 0 C--O 1.263 1.956 0 N-CA-C 111.101 -0.8 . . . . 22.93 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.66 -2.13 23.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.03 -0.73 . . . . 26.92 109.03 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.59 158.64 43.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.079 -1.082 . . . . 21.41 108.079 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 142.33 41.87 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 125.85 1.969 . . . . 36.11 106.789 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.31 132.83 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 105.894 -1.891 . . . . 18.48 105.894 165.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.48 162.7 10.23 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 124.089 0.868 . . . . 21.4 110.243 -169.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.95 45.92 22.96 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 125.267 1.605 . . . . 23.16 107.952 172.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.84 102.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 114.453 -1.249 . . . . 34.96 108.487 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.09 137.82 45.42 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.679 -1.23 . . . . 36.33 107.679 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -54.93 136.66 47.07 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.9 -0.778 . . . . 46.48 108.9 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.99 -4.0 86.44 Favored Glycine 0 C--O 1.251 1.214 0 CA-C-O 117.198 -1.89 . . . . 45.44 113.819 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -135.74 50.35 2.1 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.673 -1.603 . . . . 38.27 106.673 171.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -139.64 24.27 2.44 Favored 'General case' 0 C--O 1.2 -1.544 0 CA-C-O 116.945 -1.503 . . . . 37.39 111.165 -169.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . 0.452 ' OG1' ' OD1' ' A' ' 77' ' ' ASP . 49.6 m -51.44 -47.57 63.01 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 119.674 1.125 . . . . 27.86 110.197 -177.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -95.11 19.83 9.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.003 -1.475 . . . . 26.37 111.923 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.49 -51.4 67.13 Favored 'General case' 0 C--O 1.265 1.877 0 CA-C-N 119.588 1.085 . . . . 25.13 112.225 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -71.69 -35.59 70.31 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.218 -1.393 . . . . 41.17 109.077 -169.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.12 -46.83 79.02 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.601 1.188 . . . . 28.44 109.38 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.55 -37.72 71.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.978 -1.089 . . . . 24.64 109.882 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -61.68 -33.46 74.03 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 119.974 1.261 . . . . 23.17 109.01 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.97 -43.81 86.77 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.249 -1.019 . . . . 30.43 108.249 179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.501 0.72 . . . . 21.76 109.699 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.07 -41.73 85.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.895 -0.78 . . . . 27.32 108.895 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.27 81.36 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.604 -1.189 . . . . 29.3 109.788 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -49.13 66.64 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 117.307 -1.33 . . . . 40.3 109.93 -179.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -56.07 -42.83 77.26 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.965 1.706 . . . . 29.46 111.962 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -63.34 -47.07 83.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 119.014 -0.517 . . . . 44.2 109.703 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.63 -49.43 56.78 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.135 -1.061 . . . . 47.23 108.135 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -77.24 -3.81 41.61 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 116.816 -1.564 . . . . 43.97 112.519 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm 56.16 42.53 28.09 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.808 1.243 . . . . 45.79 110.907 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.51 129.7 35.15 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 124.071 0.857 . . . . 36.44 109.666 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 55.77 -103.75 0.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.932 2.02 . . . . 37.46 108.907 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.25 -29.52 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 123.962 0.789 . . . . 43.45 110.282 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -97.74 18.18 16.27 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 116.203 -1.856 . . . . 42.57 110.418 -174.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-N 119.896 1.225 . . . . 57.21 111.525 -172.261 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . 0.441 ' O ' ' CE ' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 118.12 -0.943 . . . . 36.76 109.527 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -148.56 155.83 41.63 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 113.647 0.98 . . . . 45.98 113.647 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -88.37 135.86 33.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.183 -1.826 . . . . 43.77 110.237 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -124.42 153.02 69.13 Favored Pre-proline 0 C--N 1.315 -0.894 0 O-C-N 124.781 1.301 . . . . 28.98 108.446 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -76.55 156.53 36.2 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.563 1.509 . . . . 29.15 110.044 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 160.8 20.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.964 -1.495 . . . . 25.64 106.964 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -124.2 144.6 49.84 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 109.208 -0.664 . . . . 29.25 109.208 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.19 129.77 43.54 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.69 1.244 . . . . 28.31 107.811 176.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.99 -57.35 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 106.05 -1.833 . . . . 28.62 106.05 159.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.17 133.14 7.55 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.185 0.928 . . . . 50.73 111.82 -174.833 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.27 138.6 58.23 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 125.135 1.522 . . . . 29.71 108.355 165.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -118.12 -72.19 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 CA-C-O 117.077 -1.44 . . . . 25.98 108.489 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -146.58 -160.33 1.14 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.242 0.928 . . . . 26.26 109.301 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.8 -43.06 92.2 Favored Glycine 0 N--CA 1.479 1.502 0 CA-C-O 119.647 -0.529 . . . . 22.37 112.271 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p30 -123.9 14.83 9.28 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 117.534 -1.222 . . . . 18.99 111.698 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -132.69 144.35 50.26 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 119.308 0.958 . . . . 24.58 110.242 171.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.9 149.13 14.86 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 O-C-N 124.456 1.098 . . . . 25.5 109.418 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HE3' ' O ' ' A' ' 323' ' ' HOH . 9.0 tttm -97.95 119.42 36.54 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 107.155 -1.424 . . . . 39.36 107.155 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.4 mt -124.74 158.73 32.55 Favored 'General case' 0 C--O 1.253 1.271 0 N-CA-C 107.729 -1.211 . . . . 21.65 107.729 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttm -100.76 122.46 43.42 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.121 -1.437 . . . . 35.39 107.121 167.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.71 127.12 36.21 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.641 -1.244 . . . . 26.05 107.641 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttt 38.28 47.93 1.09 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.107 0.879 . . . . 51.24 110.897 -164.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.69 87.61 Favored Glycine 0 C--O 1.255 1.463 0 CA-C-O 115.486 -2.841 . . . . 24.7 114.411 170.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -120.62 138.21 27.23 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 119.31 1.555 . . . . 23.64 109.702 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -71.45 144.31 45.03 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 N-CA-C 107.908 -1.612 . . . . 28.03 107.908 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -160.35 131.49 5.71 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.695 -0.854 . . . . 45.93 108.695 -170.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.5 m -82.49 125.38 31.03 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 124.542 1.151 . . . . 23.66 107.947 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.51 129.3 52.55 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 125.156 1.535 . . . . 18.74 111.034 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -98.41 125.44 43.56 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 125.689 1.868 . . . . 19.19 108.026 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.95 128.29 36.15 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 107.426 -1.324 . . . . 21.6 107.426 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.92 141.14 58.88 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 117.623 -1.179 . . . . 17.7 110.945 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 mt 75.02 10.74 3.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.383 2.302 . . . . 20.93 111.114 159.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 m -130.7 161.67 40.18 Favored 'Isoleucine or valine' 0 C--O 1.259 1.605 0 CA-C-N 118.949 0.795 . . . . 17.76 111.009 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -141.01 112.16 7.27 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 107.718 -1.216 . . . . 24.14 107.718 172.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -85.67 148.71 49.57 Favored Pre-proline 0 N--CA 1.486 1.326 0 O-C-N 124.958 1.411 . . . . 22.28 109.798 168.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.34 150.38 59.21 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 109.155 -1.133 . . . . 28.88 109.155 168.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.3 157.29 32.04 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 106.698 -1.593 . . . . 41.43 106.698 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.32 -38.4 63.16 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 124.359 1.037 . . . . 48.3 109.969 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.01 -9.16 59.46 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 116.598 -1.667 . . . . 50.99 110.875 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -93.0 171.29 9.04 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 119.874 1.215 . . . . 49.62 110.243 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -65.47 129.83 41.14 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 108.515 -0.921 . . . . 55.42 108.515 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 72.6 -2.76 2.54 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 126.388 1.875 . . . . 45.39 112.022 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.0 -57.49 14.55 Favored Glycine 0 N--CA 1.478 1.458 0 CA-C-N 119.921 1.237 . . . . 31.2 112.768 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -57.26 -41.2 75.92 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.462 2.108 . . . . 32.54 113.026 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -68.28 -42.3 79.74 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.256 1.598 . . . . 38.9 108.85 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.91 79.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.98 0.8 . . . . 27.44 110.774 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -62.6 -47.71 82.62 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 117.897 -1.049 . . . . 27.81 109.635 -178.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.2 -46.59 82.74 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 126.298 1.839 . . . . 27.89 109.494 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.47 -56.95 15.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.951 1.407 . . . . 26.89 112.135 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.8 m -59.92 -41.66 92.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.523 0.729 . . . . 24.93 109.507 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -63.02 -47.94 80.92 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.64 1.213 . . . . 36.57 109.071 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.64 -41.85 78.82 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.767 1.292 . . . . 45.65 108.37 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -48.25 78.96 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 118.399 -0.81 . . . . 29.95 108.9 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -81.52 -32.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 116.697 -1.621 . . . . 28.4 110.273 -171.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.31 -35.58 66.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 125.354 1.659 . . . . 33.42 109.816 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -79.13 -17.06 55.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 117.793 -1.098 . . . . 40.03 110.709 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.05 133.36 45.22 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.822 0.737 . . . . 34.14 109.446 -173.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -81.97 -26.23 34.13 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.101 -1.444 . . . . 50.25 107.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -136.8 114.31 11.0 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.933 0.771 . . . . 46.18 110.621 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.4 mm -95.04 133.41 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 125.532 1.77 . . . . 25.42 107.936 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.59 148.85 50.81 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 125.292 1.62 . . . . 28.73 110.164 171.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -117.14 140.7 38.77 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 N-CA-C 107.371 -1.344 . . . . 25.26 107.371 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -130.07 106.4 8.6 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.472 -1.677 . . . . 27.24 106.472 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -71.47 150.67 44.67 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 125.113 1.508 . . . . 30.53 108.926 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -88.8 -167.8 1.99 Allowed 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.345 -1.724 . . . . 29.82 106.345 170.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -88.85 -8.32 54.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 117.658 -1.163 . . . . 53.13 110.87 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.4 -145.75 12.33 Favored Glycine 0 C--O 1.255 1.441 0 O-C-N 123.921 0.763 . . . . 34.04 112.916 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.42 131.52 28.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.16 1.384 . . . . 45.32 108.132 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -105.96 -13.24 15.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.993 -1.003 . . . . 33.53 111.511 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -134.17 141.34 47.03 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 106.711 -1.588 . . . . 36.98 106.711 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -87.64 -174.3 4.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.446 -0.946 . . . . 23.87 108.446 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -70.44 -15.26 62.8 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 118.834 -0.603 . . . . 29.46 110.665 -175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.89 3.08 55.39 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.746 -1.121 . . . . 31.59 109.223 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.69 1.11 90.06 Favored Glycine 0 N--CA 1.471 1.021 0 CA-C-O 118.558 -1.134 . . . . 25.54 112.24 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -71.18 139.97 50.36 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.914 1.357 . . . . 21.72 108.69 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.38 140.28 44.74 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 108.216 -1.954 . . . . 21.74 108.216 169.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.0 mt -112.24 114.19 26.84 Favored 'General case' 0 C--O 1.261 1.658 0 N-CA-C 108.445 -0.946 . . . . 22.68 108.445 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.28 167.95 27.64 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-O 122.364 1.078 . . . . 17.82 112.794 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -89.41 131.92 35.24 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-N 112.743 -2.026 . . . . 20.13 106.158 160.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.2 mm -113.28 132.86 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.547 -1.279 . . . . 20.55 107.547 -175.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -118.91 139.83 50.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.113 -0.946 . . . . 21.77 108.787 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -120.13 104.68 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 125.859 1.974 . . . . 23.86 107.425 175.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.25 50.83 15.53 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 107.618 -1.253 . . . . 30.32 107.618 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.93 -8.42 60.14 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 116.043 -2.532 . . . . 27.54 113.677 171.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -100.73 132.12 46.28 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.807 1.803 . . . . 50.13 110.768 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.1 ttm -79.06 117.62 20.28 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 124.516 1.135 . . . . 20.91 108.514 -174.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.1 t -57.8 -44.61 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.997 0.919 . . . . 18.44 108.674 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.51 -49.33 67.79 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.053 -1.462 . . . . 18.62 107.053 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.493 ' HA ' HD22 ' A' ' 125' ' ' LEU . 52.7 tt0 -71.85 -42.24 67.14 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.435 -0.95 . . . . 25.03 108.435 -171.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.91 99.55 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.533 1.146 . . . . 21.41 109.75 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.58 -45.79 92.66 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 119.425 1.011 . . . . 20.76 108.709 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.77 -45.26 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.84 -1.17 . . . . 20.93 107.84 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -58.21 -37.65 75.23 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 118.531 -0.747 . . . . 31.26 109.072 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 335' ' ' HOH . 96.2 mm-40 -86.15 0.39 53.71 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.086 -0.959 . . . . 36.66 110.653 -175.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 30.24 72.57 Favored Glycine 0 C--O 1.263 1.956 0 N-CA-C 111.101 -0.8 . . . . 22.93 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.66 -2.13 23.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.03 -0.73 . . . . 26.92 109.03 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.59 158.64 43.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.079 -1.082 . . . . 21.41 108.079 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 142.33 41.87 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 125.85 1.969 . . . . 36.11 106.789 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.31 132.83 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 105.894 -1.891 . . . . 18.48 105.894 165.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.48 162.7 10.23 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 124.089 0.868 . . . . 21.4 110.243 -169.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.95 45.92 22.96 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 125.267 1.605 . . . . 23.16 107.952 172.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.84 102.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 114.453 -1.249 . . . . 34.96 108.487 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.09 137.82 45.42 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.679 -1.23 . . . . 36.33 107.679 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -54.93 136.66 47.07 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.9 -0.778 . . . . 46.48 108.9 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.99 -4.0 86.44 Favored Glycine 0 C--O 1.251 1.214 0 CA-C-O 117.198 -1.89 . . . . 45.44 113.819 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -135.74 50.35 2.1 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.673 -1.603 . . . . 38.27 106.673 171.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -139.64 24.27 2.44 Favored 'General case' 0 C--O 1.2 -1.544 0 CA-C-O 116.945 -1.503 . . . . 37.39 111.165 -169.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 49.6 m -51.44 -47.57 63.01 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 119.674 1.125 . . . . 27.86 110.197 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -95.11 19.83 9.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.003 -1.475 . . . . 26.37 111.923 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.49 -51.4 67.13 Favored 'General case' 0 C--O 1.265 1.877 0 CA-C-N 119.588 1.085 . . . . 25.13 112.225 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -71.69 -35.59 70.31 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.218 -1.393 . . . . 41.17 109.077 -169.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.12 -46.83 79.02 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.601 1.188 . . . . 28.44 109.38 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 101' ' ' GLU . 17.9 mt -71.55 -37.72 71.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.978 -1.089 . . . . 24.64 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -61.68 -33.46 74.03 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 119.974 1.261 . . . . 23.17 109.01 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.97 -43.81 86.77 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.249 -1.019 . . . . 30.43 108.249 179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.501 0.72 . . . . 21.76 109.699 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.07 -41.73 85.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.895 -0.78 . . . . 27.32 108.895 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.27 81.36 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.604 -1.189 . . . . 29.3 109.788 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -49.13 66.64 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 117.307 -1.33 . . . . 40.3 109.93 -179.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -56.07 -42.83 77.26 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.965 1.706 . . . . 29.46 111.962 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 140' ' ' TRP . 11.9 mttt -63.34 -47.07 83.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 119.014 -0.517 . . . . 44.2 109.703 177.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.63 -49.43 56.78 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.135 -1.061 . . . . 47.23 108.135 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -77.24 -3.81 41.61 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 116.816 -1.564 . . . . 43.97 112.519 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm 56.16 42.53 28.09 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.808 1.243 . . . . 45.79 110.907 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.51 129.7 35.15 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 124.071 0.857 . . . . 36.44 109.666 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 55.77 -103.75 0.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.932 2.02 . . . . 37.46 108.907 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.25 -29.52 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 123.962 0.789 . . . . 43.45 110.282 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 133' ' ' LYS . 58.1 m95 -97.74 18.18 16.27 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 116.203 -1.856 . . . . 42.57 110.418 -174.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-N 119.896 1.225 . . . . 57.21 111.525 -172.261 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . 0.75 ' O ' ' HE3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . 0.615 ' O ' ' HG2' ' A' ' 106' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.517 2.879 0 CA-C-O 118.12 -0.943 . . . . 36.76 109.527 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -148.56 155.83 41.63 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 113.647 0.98 . . . . 45.98 113.647 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -88.37 135.86 33.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 113.183 -1.826 . . . . 43.77 110.237 -174.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -124.42 153.02 69.13 Favored Pre-proline 0 C--N 1.315 -0.894 0 O-C-N 124.781 1.301 . . . . 28.98 108.446 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -76.55 156.53 36.2 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 121.563 1.509 . . . . 29.15 110.044 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 160.8 20.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.964 -1.495 . . . . 25.64 106.964 172.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -124.2 144.6 49.84 Favored 'General case' 0 C--O 1.25 1.124 0 N-CA-C 109.208 -0.664 . . . . 29.25 109.208 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.19 129.77 43.54 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.69 1.244 . . . . 28.31 107.811 176.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.99 -57.35 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 N-CA-C 106.05 -1.833 . . . . 28.62 106.05 159.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.17 133.14 7.55 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.185 0.928 . . . . 50.73 111.82 -174.833 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.27 138.6 58.23 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 125.135 1.522 . . . . 29.71 108.355 165.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mt -118.12 -72.19 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 CA-C-O 117.077 -1.44 . . . . 25.98 108.489 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -146.58 -160.33 1.14 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.242 0.928 . . . . 26.26 109.301 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.8 -43.06 92.2 Favored Glycine 0 N--CA 1.479 1.502 0 CA-C-O 119.647 -0.529 . . . . 22.37 112.271 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p30 -123.9 14.83 9.28 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 117.534 -1.222 . . . . 18.99 111.698 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -132.69 144.35 50.26 Favored 'General case' 0 C--O 1.271 2.195 0 CA-C-N 119.308 0.958 . . . . 24.58 110.242 171.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.9 149.13 14.86 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 O-C-N 124.456 1.098 . . . . 25.5 109.418 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.75 ' HE3' ' O ' ' A' ' 323' ' ' HOH . 9.0 tttm -97.95 119.42 36.54 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 107.155 -1.424 . . . . 39.36 107.155 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.4 mt -124.74 158.73 32.55 Favored 'General case' 0 C--O 1.253 1.271 0 N-CA-C 107.729 -1.211 . . . . 21.65 107.729 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.0 ttm -100.76 122.46 43.42 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.121 -1.437 . . . . 35.39 107.121 167.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.71 127.12 36.21 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.641 -1.244 . . . . 26.05 107.641 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttt 38.28 47.93 1.09 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.107 0.879 . . . . 51.24 110.897 -164.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.69 87.61 Favored Glycine 0 C--O 1.255 1.463 0 CA-C-O 115.486 -2.841 . . . . 24.7 114.411 170.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -120.62 138.21 27.23 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 119.31 1.555 . . . . 23.64 109.702 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -71.45 144.31 45.03 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 N-CA-C 107.908 -1.612 . . . . 28.03 107.908 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -160.35 131.49 5.71 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 108.695 -0.854 . . . . 45.93 108.695 -170.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.5 m -82.49 125.38 31.03 Favored 'General case' 0 C--O 1.256 1.415 0 O-C-N 124.542 1.151 . . . . 23.66 107.947 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.51 129.3 52.55 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 125.156 1.535 . . . . 18.74 111.034 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -98.41 125.44 43.56 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 125.689 1.868 . . . . 19.19 108.026 168.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.95 128.29 36.15 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 107.426 -1.324 . . . . 21.6 107.426 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.92 141.14 58.88 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 117.623 -1.179 . . . . 17.7 110.945 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 mt 75.02 10.74 3.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.383 2.302 . . . . 20.93 111.114 159.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 m -130.7 161.67 40.18 Favored 'Isoleucine or valine' 0 C--O 1.259 1.605 0 CA-C-N 118.949 0.795 . . . . 17.76 111.009 -179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -141.01 112.16 7.27 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 107.718 -1.216 . . . . 24.14 107.718 172.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.6 p -85.67 148.71 49.57 Favored Pre-proline 0 N--CA 1.486 1.326 0 O-C-N 124.958 1.411 . . . . 22.28 109.798 168.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -57.34 150.38 59.21 Favored 'Trans proline' 0 C--N 1.352 0.724 0 N-CA-C 109.155 -1.133 . . . . 28.88 109.155 168.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.3 157.29 32.04 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 106.698 -1.593 . . . . 41.43 106.698 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.32 -38.4 63.16 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 124.359 1.037 . . . . 48.3 109.969 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -79.01 -9.16 59.46 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 116.598 -1.667 . . . . 50.99 110.875 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -93.0 171.29 9.04 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 119.874 1.215 . . . . 49.62 110.243 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -65.47 129.83 41.14 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 108.515 -0.921 . . . . 55.42 108.515 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 72.6 -2.76 2.54 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 126.388 1.875 . . . . 45.39 112.022 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.0 -57.49 14.55 Favored Glycine 0 N--CA 1.478 1.458 0 CA-C-N 119.921 1.237 . . . . 31.2 112.768 172.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -57.26 -41.2 75.92 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.462 2.108 . . . . 32.54 113.026 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -68.28 -42.3 79.74 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 125.256 1.598 . . . . 38.9 108.85 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.91 79.96 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.98 0.8 . . . . 27.44 110.774 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -62.6 -47.71 82.62 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 117.897 -1.049 . . . . 27.81 109.635 -178.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.2 -46.59 82.74 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 126.298 1.839 . . . . 27.89 109.494 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.47 -56.95 15.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.951 1.407 . . . . 26.89 112.135 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.8 m -59.92 -41.66 92.25 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.523 0.729 . . . . 24.93 109.507 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -63.02 -47.94 80.92 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.64 1.213 . . . . 36.57 109.071 -172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.64 -41.85 78.82 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.767 1.292 . . . . 45.65 108.37 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -48.25 78.96 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 118.399 -0.81 . . . . 29.95 108.9 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -81.52 -32.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 116.697 -1.621 . . . . 28.4 110.273 -171.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.31 -35.58 66.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 125.354 1.659 . . . . 33.42 109.816 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -79.13 -17.06 55.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 117.793 -1.098 . . . . 40.03 110.709 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.573 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.05 133.36 45.22 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.822 0.737 . . . . 34.14 109.446 -173.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -81.97 -26.23 34.13 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.101 -1.444 . . . . 50.25 107.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -136.8 114.31 11.0 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.933 0.771 . . . . 46.18 110.621 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.4 mm -95.04 133.41 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 125.532 1.77 . . . . 25.42 107.936 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.59 148.85 50.81 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 125.292 1.62 . . . . 28.73 110.164 171.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -117.14 140.7 38.77 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 N-CA-C 107.371 -1.344 . . . . 25.26 107.371 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -130.07 106.4 8.6 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.472 -1.677 . . . . 27.24 106.472 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -71.47 150.67 44.67 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 125.113 1.508 . . . . 30.53 108.926 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -88.8 -167.8 1.99 Allowed 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.345 -1.724 . . . . 29.82 106.345 170.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -88.85 -8.32 54.52 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 117.658 -1.163 . . . . 53.13 110.87 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.4 -145.75 12.33 Favored Glycine 0 C--O 1.255 1.441 0 O-C-N 123.921 0.763 . . . . 34.04 112.916 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -51.42 131.52 28.9 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.16 1.384 . . . . 45.32 108.132 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -105.96 -13.24 15.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 117.993 -1.003 . . . . 33.53 111.511 -176.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 p -134.17 141.34 47.03 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 106.711 -1.588 . . . . 36.98 106.711 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -87.64 -174.3 4.71 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.446 -0.946 . . . . 23.87 108.446 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -70.44 -15.26 62.8 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 118.834 -0.603 . . . . 29.46 110.665 -175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -94.89 3.08 55.39 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.746 -1.121 . . . . 31.59 109.223 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.69 1.11 90.06 Favored Glycine 0 N--CA 1.471 1.021 0 CA-C-O 118.558 -1.134 . . . . 25.54 112.24 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -71.18 139.97 50.36 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.914 1.357 . . . . 21.72 108.69 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.38 140.28 44.74 Favored Glycine 0 N--CA 1.466 0.665 0 N-CA-C 108.216 -1.954 . . . . 21.74 108.216 169.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.0 mt -112.24 114.19 26.84 Favored 'General case' 0 C--O 1.261 1.658 0 N-CA-C 108.445 -0.946 . . . . 22.68 108.445 173.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.28 167.95 27.64 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-O 122.364 1.078 . . . . 17.82 112.794 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -89.41 131.92 35.24 Favored 'General case' 0 C--O 1.262 1.761 0 CA-C-N 112.743 -2.026 . . . . 20.13 106.158 160.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.2 mm -113.28 132.86 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 N-CA-C 107.547 -1.279 . . . . 20.55 107.547 -175.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -118.91 139.83 50.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 118.113 -0.946 . . . . 21.77 108.787 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -120.13 104.68 10.3 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 125.859 1.974 . . . . 23.86 107.425 175.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.25 50.83 15.53 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 107.618 -1.253 . . . . 30.32 107.618 -175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.93 -8.42 60.14 Favored Glycine 0 N--CA 1.471 1.024 0 CA-C-O 116.043 -2.532 . . . . 27.54 113.677 171.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -100.73 132.12 46.28 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.807 1.803 . . . . 50.13 110.768 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.1 ttm -79.06 117.62 20.28 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 124.516 1.135 . . . . 20.91 108.514 -174.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 49.1 t -57.8 -44.61 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.997 0.919 . . . . 18.44 108.674 174.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.51 -49.33 67.79 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.053 -1.462 . . . . 18.62 107.053 -176.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.493 ' HA ' HD22 ' A' ' 125' ' ' LEU . 52.7 tt0 -71.85 -42.24 67.14 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.435 -0.95 . . . . 25.03 108.435 -171.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.91 99.55 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.533 1.146 . . . . 21.41 109.75 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.58 -45.79 92.66 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 119.425 1.011 . . . . 20.76 108.709 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.77 -45.26 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.84 -1.17 . . . . 20.93 107.84 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -58.21 -37.65 75.23 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 118.531 -0.747 . . . . 31.26 109.072 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 335' ' ' HOH . 96.2 mm-40 -86.15 0.39 53.71 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.086 -0.959 . . . . 36.66 110.653 -175.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 30.24 72.57 Favored Glycine 0 C--O 1.263 1.956 0 N-CA-C 111.101 -0.8 . . . . 22.93 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.66 -2.13 23.75 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.03 -0.73 . . . . 26.92 109.03 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.59 158.64 43.94 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.079 -1.082 . . . . 21.41 108.079 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 142.33 41.87 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 125.85 1.969 . . . . 36.11 106.789 174.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.31 132.83 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 105.894 -1.891 . . . . 18.48 105.894 165.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.48 162.7 10.23 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 124.089 0.868 . . . . 21.4 110.243 -169.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 55.95 45.92 22.96 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 125.267 1.605 . . . . 23.16 107.952 172.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.84 102.68 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-N 114.453 -1.249 . . . . 34.96 108.487 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -108.09 137.82 45.42 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.679 -1.23 . . . . 36.33 107.679 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -54.93 136.66 47.07 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.9 -0.778 . . . . 46.48 108.9 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.99 -4.0 86.44 Favored Glycine 0 C--O 1.251 1.214 0 CA-C-O 117.198 -1.89 . . . . 45.44 113.819 176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -135.74 50.35 2.1 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 106.673 -1.603 . . . . 38.27 106.673 171.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -139.64 24.27 2.44 Favored 'General case' 0 C--O 1.2 -1.544 0 CA-C-O 116.945 -1.503 . . . . 37.39 111.165 -169.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 49.6 m -51.44 -47.57 63.01 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 119.674 1.125 . . . . 27.86 110.197 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -95.11 19.83 9.95 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 117.003 -1.475 . . . . 26.37 111.923 -173.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.49 -51.4 67.13 Favored 'General case' 0 C--O 1.265 1.877 0 CA-C-N 119.588 1.085 . . . . 25.13 112.225 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -71.69 -35.59 70.31 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.218 -1.393 . . . . 41.17 109.077 -169.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.12 -46.83 79.02 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.601 1.188 . . . . 28.44 109.38 174.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 101' ' ' GLU . 17.9 mt -71.55 -37.72 71.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.978 -1.089 . . . . 24.64 109.882 179.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -61.68 -33.46 74.03 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 119.974 1.261 . . . . 23.17 109.01 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.97 -43.81 86.77 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.249 -1.019 . . . . 30.43 108.249 179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.15 96.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.501 0.72 . . . . 21.76 109.699 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.07 -41.73 85.92 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 108.895 -0.78 . . . . 27.32 108.895 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.27 81.36 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 117.604 -1.189 . . . . 29.3 109.788 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -49.13 66.64 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 117.307 -1.33 . . . . 40.3 109.93 -179.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -56.07 -42.83 77.26 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.965 1.706 . . . . 29.46 111.962 173.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 140' ' ' TRP . 11.9 mttt -63.34 -47.07 83.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 119.014 -0.517 . . . . 44.2 109.703 177.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -50.63 -49.43 56.78 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.135 -1.061 . . . . 47.23 108.135 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -77.24 -3.81 41.61 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 116.816 -1.564 . . . . 43.97 112.519 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm 56.16 42.53 28.09 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.808 1.243 . . . . 45.79 110.907 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.51 129.7 35.15 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 124.071 0.857 . . . . 36.44 109.666 -174.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 55.77 -103.75 0.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.932 2.02 . . . . 37.46 108.907 161.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.25 -29.52 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 123.962 0.789 . . . . 43.45 110.282 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 133' ' ' LYS . 58.1 m95 -97.74 18.18 16.27 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 116.203 -1.856 . . . . 42.57 110.418 -174.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.492 1.628 0 CA-C-N 119.896 1.225 . . . . 57.21 111.525 -172.261 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . 0.75 ' O ' ' HE3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . 0.615 ' O ' ' HG2' ' A' ' 106' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_