data_6vhi_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 6vhi _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.36 0.124 . . . . 91.85 110.785 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.2 t -78.68 124.88 85.08 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 112.804 0.668 . . . . 74.13 112.804 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -73.52 166.15 30.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 N-CA-C 115.644 1.363 . . . . 56.35 115.644 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -124.39 154.71 39.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.782 1.233 . . . . 59.71 110.806 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -155.54 132.77 10.88 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.991 0.916 . . . . 46.08 110.069 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -121.0 140.91 51.25 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 123.699 0.8 . . . . 57.89 109.334 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -73.83 126.93 31.5 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.306 -1.315 . . . . 47.9 108.904 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.62 -59.41 3.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.944 -1.132 . . . . 51.75 107.944 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' OE2' ' NH1' ' A' ' 100' ' ' ARG . 18.3 pt-20 -172.91 161.07 4.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.48 0.919 . . . . 67.73 113.48 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -81.36 119.28 23.48 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 106.017 -1.845 . . . . 63.63 106.017 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -81.94 -35.38 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 109.06 -0.718 . . . . 65.66 109.06 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -137.73 167.25 22.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.303 1.041 . . . . 84.28 109.567 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mm 52.02 72.05 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 124.537 1.135 . . . . 86.17 111.258 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.21 168.51 41.43 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 116.326 -0.397 . . . . 93.92 112.788 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -51.29 -43.6 61.66 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.22 1.008 . . . . 115.45 109.569 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.06 77.37 0.23 Allowed Glycine 0 C--N 1.348 1.246 0 O-C-N 124.551 1.157 . . . . 112.33 113.574 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -150.2 133.38 16.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.416 1.086 . . . . 121.49 108.85 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 t -105.63 129.93 53.77 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.273 0.842 . . . . 124.02 113.273 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mm -118.55 138.66 26.06 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.274 1.43 . . . . 114.57 108.083 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.57 167.83 23.05 Favored 'Trans proline' 0 C--N 1.367 1.55 0 CA-C-N 121.655 1.627 . . . . 120.78 114.575 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -69.61 151.05 69.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 N-CA-C 114.669 0.988 . . . . 125.2 114.669 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 54.02 22.79 3.62 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.059 1.344 . . . . 121.71 114.355 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.2 m -91.59 134.99 34.2 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.339 1.056 . . . . 106.81 110.602 -178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.28 -1.007 . . . . 116.16 108.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -160.69 157.16 26.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.26 -0.275 . . . . 74.3 110.862 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.1 t -107.92 137.49 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 N-CA-C 105.785 -1.931 . . . . 61.64 105.785 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -110.32 122.12 46.91 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 106.76 -1.57 . . . . 57.55 106.76 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.2 m -124.78 135.47 52.99 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.709 -0.849 . . . . 54.13 108.709 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -122.29 155.11 36.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.184 0.994 . . . . 45.78 108.354 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . 0.517 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 32.8 ttm180 -115.4 121.86 44.06 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 104.099 -2.556 . . . . 71.3 104.099 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.03 166.58 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.832 0.853 . . . . 42.45 110.768 -176.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.85 149.94 44.04 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 113.762 1.023 . . . . 61.32 113.762 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -80.72 96.36 6.9 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 102.835 -3.024 . . . . 48.69 102.835 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.5 p -87.74 27.53 1.13 Allowed 'General case' 0 CA--C 1.558 1.277 0 O-C-N 123.6 0.563 . . . . 51.72 111.803 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -111.44 172.74 15.21 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 124.237 0.922 . . . . 56.8 112.636 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.69 -22.9 39.98 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.319 1.229 . . . . 68.43 114.319 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.02 163.95 21.22 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.797 0.839 . . . . 78.05 110.933 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.83 153.56 36.27 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.905 -0.588 . . . . 57.4 109.724 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -70.2 145.44 93.58 Favored Pre-proline 0 C--O 1.247 0.936 0 N-CA-C 106.686 -1.598 . . . . 47.42 106.686 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.82 165.96 24.09 Favored 'Trans proline' 0 C--O 1.244 0.81 0 N-CA-C 110.471 -0.627 . . . . 52.26 110.471 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -71.14 155.56 60.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 CA-C-N 118.494 0.498 . . . . 55.72 111.001 176.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 31.31 56.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 115.993 1.157 . . . . 49.31 115.993 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -89.33 156.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 118.218 1.009 . . . . 44.11 109.213 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 22.0 p -155.7 156.58 35.16 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.381 0.511 . . . . 47.85 112.381 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.0 tp -92.6 130.82 38.13 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 105.578 -2.008 . . . . 45.22 105.578 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -128.09 141.99 51.34 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 112.978 0.733 . . . . 77.37 112.978 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TYR . . . . . 0.454 ' OH ' ' O ' ' A' ' 120' ' ' GLY . 33.1 t80 -64.77 132.26 49.08 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 114.483 -1.235 . . . . 71.41 108.059 175.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.55 1.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 116.196 1.925 . . . . 62.86 116.196 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.45 172.34 27.58 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 119.424 1.011 . . . . 72.42 114.17 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLY . . . . . 0.454 ' O ' ' OH ' ' A' ' 117' ' ' TYR . . . 72.99 -165.91 54.67 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.698 -0.561 . . . . 78.58 111.698 -176.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -64.92 146.03 55.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.383 1.073 . . . . 86.64 112.971 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.7 137.89 45.91 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.517 -1.29 . . . . 105.31 107.517 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.736 -0.468 . . . . 88.02 109.736 -178.739 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.252 1.19 0 N-CA-C 108.797 -0.816 . . . . 75.95 108.797 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.79 5.15 8.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.258 1.947 . . . . 76.82 116.258 -171.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -161.0 136.66 7.99 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.13 0.877 . . . . 67.53 111.594 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.34 131.77 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.305 -1.369 . . . . 55.22 107.305 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 90.7 mmm -66.98 146.34 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.658 0.663 . . . . 82.31 109.523 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.9 148.01 33.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 106.249 -1.76 . . . . 45.93 106.249 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -73.81 157.18 36.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 119.612 -0.835 . . . . 58.07 112.26 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -76.64 90.33 3.37 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 122.74 1.257 . . . . 54.2 110.686 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.43 135.23 54.96 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.69 -1.595 . . . . 46.76 114.367 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.66 157.42 89.61 Favored Pre-proline 0 C--N 1.362 1.124 0 N-CA-C 107.66 -1.237 . . . . 70.25 107.66 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -54.11 137.44 69.9 Favored 'Trans proline' 0 C--N 1.348 0.536 0 CA-C-N 119.279 0.778 . . . . 61.28 112.509 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 70.89 4.65 5.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.83 1.652 . . . . 65.84 113.833 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -79.7 146.51 32.39 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 119.628 1.104 . . . . 58.11 110.627 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 30.7 mm -98.36 148.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-O 118.171 -0.918 . . . . 53.75 109.011 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -138.69 141.85 38.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.981 0.512 . . . . 46.11 111.885 171.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.79 121.41 39.67 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.447 -2.427 . . . . 59.31 104.447 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.6 126.99 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 107.571 -1.27 . . . . 46.1 107.571 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 141.08 50.54 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 123.015 0.526 . . . . 56.82 111.29 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.8 t -131.46 131.17 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.046 -0.724 . . . . 54.48 109.046 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -82.04 118.36 22.95 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.6 0.36 . . . . 86.0 110.228 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.2 mtt -125.18 176.43 6.73 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.977 1.102 . . . . 66.09 113.977 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.47 123.77 13.03 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.138 -1.43 . . . . 96.51 107.138 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 85.1 p -66.84 145.55 98.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.403 0.89 . . . . 94.98 113.403 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.57 157.77 9.06 Favored 'Trans proline' 0 C--N 1.356 0.96 0 N-CA-C 116.882 1.839 . . . . 97.37 116.882 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 p -69.42 -28.33 66.05 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 114.985 1.476 . . . . 121.74 114.985 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -111.27 154.34 24.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 118.91 0.777 . . . . 151.71 111.862 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -65.51 153.39 41.58 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.607 0.763 . . . . 112.26 111.922 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.9 22.15 Favored Glycine 0 CA--C 1.507 -0.415 0 N-CA-C 114.411 0.524 . . . . 98.39 114.411 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.0 tpp -101.86 130.56 48.36 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.208 1.403 . . . . 107.18 107.256 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -133.46 145.95 50.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.678 0.791 . . . . 101.6 110.521 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -138.3 130.86 29.23 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 118.846 0.748 . . . . 95.67 112.204 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -119.53 145.82 18.0 Favored Glycine 0 C--O 1.223 -0.583 0 N-CA-C 110.899 -0.88 . . . . 62.83 110.899 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -108.05 143.21 37.08 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.743 1.217 . . . . 76.17 109.269 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -136.14 157.61 46.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.486 1.514 . . . . 52.03 107.734 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -160.54 144.14 13.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.381 -0.6 . . . . 45.98 109.381 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.41 153.88 41.62 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.064 -0.347 . . . . 44.28 110.064 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 20.2 t -148.94 139.03 22.19 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.207 0.603 . . . . 58.59 110.842 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 10.8 p -86.38 165.8 16.08 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 116.055 -0.52 . . . . 48.95 110.092 -178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -54.18 -27.71 35.74 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.156 1.383 . . . . 50.81 111.842 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 74.4 p -86.03 -6.64 59.0 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.506 -0.759 . . . . 65.98 112.993 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 97.54 11.79 49.98 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 116.113 1.205 . . . . 56.18 116.113 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -91.18 123.13 34.4 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.661 -0.866 . . . . 59.41 108.661 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -81.71 150.38 28.02 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.477 0.486 . . . . 62.26 110.806 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -155.58 166.71 32.69 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 110.423 -0.214 . . . . 48.17 110.423 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.21 -174.69 50.98 Favored Glycine 0 CA--C 1.502 -0.773 0 N-CA-C 115.85 1.1 . . . . 45.93 115.85 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.08 148.75 47.18 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.043 0.537 . . . . 51.44 110.925 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 78.9 t -81.61 133.59 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 103.116 -2.92 . . . . 50.76 103.116 171.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.9 pt -115.35 151.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.427 -0.583 . . . . 49.99 109.427 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -119.97 153.67 35.63 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 117.044 2.239 . . . . 68.33 117.044 -173.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.29 115.13 46.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 102.281 -3.229 . . . . 61.76 102.281 172.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 5.8 mt -122.9 118.15 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.884 -1.154 . . . . 72.86 107.884 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.08 135.96 53.34 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 114.173 1.175 . . . . 77.92 114.173 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 32.8 t -112.32 98.96 7.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 104.887 -2.264 . . . . 95.26 104.887 172.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.89 127.56 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.92 -1.141 . . . . 100.86 107.92 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.425 0.557 . . . . 130.5 110.707 -177.736 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.36 0.124 . . . . 66.79 110.785 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.2 t -78.68 124.88 85.08 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 112.804 0.668 . . . . 53.63 112.804 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -73.52 166.15 30.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 N-CA-C 115.644 1.363 . . . . 45.27 115.644 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -124.39 154.71 39.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.782 1.233 . . . . 45.35 110.806 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -155.54 132.77 10.88 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.991 0.916 . . . . 43.49 110.069 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -121.0 140.91 51.25 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 123.699 0.8 . . . . 45.67 109.334 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -73.83 126.93 31.5 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.306 -1.315 . . . . 39.5 108.904 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.62 -59.41 3.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.944 -1.132 . . . . 42.08 107.944 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' OE2' ' NH1' ' A' ' 100' ' ' ARG . 18.3 pt-20 -172.91 161.07 4.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.48 0.919 . . . . 67.73 113.48 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -81.36 119.28 23.48 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 106.017 -1.845 . . . . 60.26 106.017 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -81.94 -35.38 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 109.06 -0.718 . . . . 55.31 109.06 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -137.73 167.25 22.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.303 1.041 . . . . 65.38 109.567 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mm 52.02 72.05 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 124.537 1.135 . . . . 68.1 111.258 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.21 168.51 41.43 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 116.326 -0.397 . . . . 77.15 112.788 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -51.29 -43.6 61.66 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.22 1.008 . . . . 97.97 109.569 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.06 77.37 0.23 Allowed Glycine 0 C--N 1.348 1.246 0 O-C-N 124.551 1.157 . . . . 83.48 113.574 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -150.2 133.38 16.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.416 1.086 . . . . 99.14 108.85 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 t -105.63 129.93 53.77 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.273 0.842 . . . . 86.74 113.273 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mm -118.55 138.66 26.06 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.274 1.43 . . . . 82.68 108.083 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.57 167.83 23.05 Favored 'Trans proline' 0 C--N 1.367 1.55 0 CA-C-N 121.655 1.627 . . . . 77.06 114.575 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -69.61 151.05 69.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 N-CA-C 114.669 0.988 . . . . 76.01 114.669 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 54.02 22.79 3.62 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.059 1.344 . . . . 85.28 114.355 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.2 m -91.59 134.99 34.2 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.339 1.056 . . . . 69.38 110.602 -178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.28 -1.007 . . . . 77.1 108.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -160.69 157.16 26.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.26 -0.275 . . . . 53.24 110.862 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.1 t -107.92 137.49 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 N-CA-C 105.785 -1.931 . . . . 45.69 105.785 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -110.32 122.12 46.91 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 106.76 -1.57 . . . . 47.99 106.76 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.2 m -124.78 135.47 52.99 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.709 -0.849 . . . . 45.11 108.709 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -122.29 155.11 36.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.184 0.994 . . . . 40.63 108.354 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.517 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 32.8 ttm180 -115.4 121.86 44.06 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 104.099 -2.556 . . . . 54.18 104.099 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.03 166.58 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.832 0.853 . . . . 38.51 110.768 -176.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . 0.57 ' HB3' HD13 ' A' ' 139' ' ' ILE . 3.9 pt20 -139.85 149.94 44.04 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 113.762 1.023 . . . . 45.29 113.762 175.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -80.72 96.36 6.9 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 102.835 -3.024 . . . . 37.95 102.835 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.5 p -87.74 27.53 1.13 Allowed 'General case' 0 CA--C 1.558 1.277 0 O-C-N 123.6 0.563 . . . . 39.18 111.803 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -111.44 172.74 15.21 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 124.237 0.922 . . . . 43.37 112.636 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.69 -22.9 39.98 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.319 1.229 . . . . 43.46 114.319 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.02 163.95 21.22 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.797 0.839 . . . . 69.51 110.933 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.83 153.56 36.27 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.905 -0.588 . . . . 40.2 109.724 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -70.2 145.44 93.58 Favored Pre-proline 0 C--O 1.247 0.936 0 N-CA-C 106.686 -1.598 . . . . 39.75 106.686 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.82 165.96 24.09 Favored 'Trans proline' 0 C--O 1.244 0.81 0 N-CA-C 110.471 -0.627 . . . . 39.92 110.471 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -71.14 155.56 60.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 CA-C-N 118.494 0.498 . . . . 39.29 111.001 176.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 31.31 56.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 115.993 1.157 . . . . 38.55 115.993 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -89.33 156.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 118.218 1.009 . . . . 37.56 109.213 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 22.0 p -155.7 156.58 35.16 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.381 0.511 . . . . 40.23 112.381 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.0 tp -92.6 130.82 38.13 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 105.578 -2.008 . . . . 41.79 105.578 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -128.09 141.99 51.34 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 112.978 0.733 . . . . 59.64 112.978 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -64.77 132.26 49.08 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 114.483 -1.235 . . . . 51.84 108.059 175.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.55 1.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 116.196 1.925 . . . . 52.54 116.196 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.45 172.34 27.58 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 119.424 1.011 . . . . 55.46 114.17 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.99 -165.91 54.67 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.698 -0.561 . . . . 58.57 111.698 -176.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -64.92 146.03 55.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.383 1.073 . . . . 72.37 112.971 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.7 137.89 45.91 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.517 -1.29 . . . . 77.2 107.517 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.736 -0.468 . . . . 65.66 109.736 -178.739 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.252 1.19 0 N-CA-C 108.797 -0.816 . . . . 57.19 108.797 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.79 5.15 8.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.258 1.947 . . . . 56.11 116.258 -171.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -161.0 136.66 7.99 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.13 0.877 . . . . 59.97 111.594 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.34 131.77 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.305 -1.369 . . . . 45.92 107.305 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 90.7 mmm -66.98 146.34 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.658 0.663 . . . . 66.44 109.523 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.9 148.01 33.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 106.249 -1.76 . . . . 40.9 106.249 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -73.81 157.18 36.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 119.612 -0.835 . . . . 45.55 112.26 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -76.64 90.33 3.37 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 122.74 1.257 . . . . 44.26 110.686 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 140' ' ' ALA . 47.9 mt -65.43 135.23 54.96 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.69 -1.595 . . . . 38.53 114.367 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.66 157.42 89.61 Favored Pre-proline 0 C--N 1.362 1.124 0 N-CA-C 107.66 -1.237 . . . . 59.67 107.66 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -54.11 137.44 69.9 Favored 'Trans proline' 0 C--N 1.348 0.536 0 CA-C-N 119.279 0.778 . . . . 40.61 112.509 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 70.89 4.65 5.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.83 1.652 . . . . 45.76 113.833 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -79.7 146.51 32.39 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 119.628 1.104 . . . . 50.12 110.627 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 102' ' ' GLN . 30.7 mm -98.36 148.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-O 118.171 -0.918 . . . . 41.13 109.011 176.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 134' ' ' LEU . . . -138.69 141.85 38.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.981 0.512 . . . . 40.27 111.885 171.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.79 121.41 39.67 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.447 -2.427 . . . . 59.31 104.447 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.6 126.99 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 107.571 -1.27 . . . . 41.9 107.571 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 141.08 50.54 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 123.015 0.526 . . . . 46.44 111.29 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.8 t -131.46 131.17 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.046 -0.724 . . . . 45.11 109.046 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -82.04 118.36 22.95 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.6 0.36 . . . . 68.45 110.228 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.2 mtt -125.18 176.43 6.73 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.977 1.102 . . . . 52.22 113.977 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.47 123.77 13.03 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.138 -1.43 . . . . 62.39 107.138 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 85.1 p -66.84 145.55 98.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.403 0.89 . . . . 63.88 113.403 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.57 157.77 9.06 Favored 'Trans proline' 0 C--N 1.356 0.96 0 N-CA-C 116.882 1.839 . . . . 63.92 116.882 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 p -69.42 -28.33 66.05 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 114.985 1.476 . . . . 71.46 114.985 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -111.27 154.34 24.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 118.91 0.777 . . . . 87.79 111.862 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -65.51 153.39 41.58 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.607 0.763 . . . . 64.75 111.922 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.9 22.15 Favored Glycine 0 CA--C 1.507 -0.415 0 N-CA-C 114.411 0.524 . . . . 61.15 114.411 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.0 tpp -101.86 130.56 48.36 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.208 1.403 . . . . 74.81 107.256 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -133.46 145.95 50.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.678 0.791 . . . . 63.24 110.521 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -138.3 130.86 29.23 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 118.846 0.748 . . . . 69.88 112.204 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -119.53 145.82 18.0 Favored Glycine 0 C--O 1.223 -0.583 0 N-CA-C 110.899 -0.88 . . . . 49.63 110.899 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -108.05 143.21 37.08 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.743 1.217 . . . . 60.63 109.269 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -136.14 157.61 46.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.486 1.514 . . . . 42.77 107.734 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -160.54 144.14 13.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.381 -0.6 . . . . 36.87 109.381 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.41 153.88 41.62 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.064 -0.347 . . . . 42.22 110.064 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 20.2 t -148.94 139.03 22.19 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.207 0.603 . . . . 47.11 110.842 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 10.8 p -86.38 165.8 16.08 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 116.055 -0.52 . . . . 37.77 110.092 -178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -54.18 -27.71 35.74 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.156 1.383 . . . . 38.55 111.842 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 74.4 p -86.03 -6.64 59.0 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.506 -0.759 . . . . 47.95 112.993 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 97.54 11.79 49.98 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 116.113 1.205 . . . . 40.15 116.113 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -91.18 123.13 34.4 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.661 -0.866 . . . . 43.18 108.661 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -81.71 150.38 28.02 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.477 0.486 . . . . 47.14 110.806 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -155.58 166.71 32.69 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 110.423 -0.214 . . . . 42.34 110.423 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.21 -174.69 50.98 Favored Glycine 0 CA--C 1.502 -0.773 0 N-CA-C 115.85 1.1 . . . . 39.76 115.85 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.08 148.75 47.18 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.043 0.537 . . . . 51.44 110.925 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 78.9 t -81.61 133.59 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 103.116 -2.92 . . . . 43.28 103.116 171.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.9 pt -115.35 151.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.427 -0.583 . . . . 45.28 109.427 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -119.97 153.67 35.63 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 117.044 2.239 . . . . 51.81 117.044 -173.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.29 115.13 46.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 102.281 -3.229 . . . . 50.0 102.281 172.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 5.8 mt -122.9 118.15 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.884 -1.154 . . . . 56.27 107.884 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.08 135.96 53.34 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 114.173 1.175 . . . . 57.4 114.173 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 32.8 t -112.32 98.96 7.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 104.887 -2.264 . . . . 63.22 104.887 172.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.89 127.56 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.92 -1.141 . . . . 62.8 107.92 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.425 0.557 . . . . 99.0 110.707 -177.736 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.36 0.124 . . . . 66.79 110.785 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.2 t -78.68 124.88 85.08 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 112.804 0.668 . . . . 53.63 112.804 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -73.52 166.15 30.59 Favored 'Trans proline' 0 C--N 1.352 0.758 0 N-CA-C 115.644 1.363 . . . . 45.27 115.644 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.4 m -124.39 154.71 39.99 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.782 1.233 . . . . 45.35 110.806 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -155.54 132.77 10.88 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.991 0.916 . . . . 43.49 110.069 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -121.0 140.91 51.25 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 123.699 0.8 . . . . 45.67 109.334 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -73.83 126.93 31.5 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.306 -1.315 . . . . 39.5 108.904 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.4 t -94.62 -59.41 3.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.944 -1.132 . . . . 42.08 107.944 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' OE2' ' NH1' ' A' ' 100' ' ' ARG . 18.3 pt-20 -172.91 161.07 4.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.48 0.919 . . . . 67.73 113.48 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -81.36 119.28 23.48 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 106.017 -1.845 . . . . 60.26 106.017 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.9 t -81.94 -35.38 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 109.06 -0.718 . . . . 55.31 109.06 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -137.73 167.25 22.08 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.303 1.041 . . . . 65.38 109.567 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.4 mm 52.02 72.05 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 124.537 1.135 . . . . 68.1 111.258 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.21 168.51 41.43 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 116.326 -0.397 . . . . 77.15 112.788 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -51.29 -43.6 61.66 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.22 1.008 . . . . 97.97 109.569 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.06 77.37 0.23 Allowed Glycine 0 C--N 1.348 1.246 0 O-C-N 124.551 1.157 . . . . 83.48 113.574 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -150.2 133.38 16.28 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 124.416 1.086 . . . . 99.14 108.85 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 t -105.63 129.93 53.77 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.273 0.842 . . . . 86.74 113.273 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mm -118.55 138.66 26.06 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.274 1.43 . . . . 82.68 108.083 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.57 167.83 23.05 Favored 'Trans proline' 0 C--N 1.367 1.55 0 CA-C-N 121.655 1.627 . . . . 77.06 114.575 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -69.61 151.05 69.84 Favored 'Trans proline' 0 C--N 1.35 0.645 0 N-CA-C 114.669 0.988 . . . . 76.01 114.669 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 54.02 22.79 3.62 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.059 1.344 . . . . 85.28 114.355 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.2 m -91.59 134.99 34.2 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.339 1.056 . . . . 69.38 110.602 -178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.34 0.192 0 N-CA-C 108.28 -1.007 . . . . 77.1 108.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -160.69 157.16 26.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.26 -0.275 . . . . 53.24 110.862 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.1 t -107.92 137.49 39.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.804 0 N-CA-C 105.785 -1.931 . . . . 45.69 105.785 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -110.32 122.12 46.91 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 106.76 -1.57 . . . . 47.99 106.76 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.2 m -124.78 135.47 52.99 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.709 -0.849 . . . . 45.11 108.709 -178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -122.29 155.11 36.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.184 0.994 . . . . 40.63 108.354 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.517 ' NH1' ' OE2' ' A' ' 79' ' ' GLU . 32.8 ttm180 -115.4 121.86 44.06 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 104.099 -2.556 . . . . 54.18 104.099 176.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.03 166.58 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.832 0.853 . . . . 38.51 110.768 -176.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.57 ' HB3' HD13 ' A' ' 139' ' ' ILE . 1.5 pt20 -139.85 149.94 44.04 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 113.762 1.023 . . . . 45.29 113.762 175.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -80.72 96.36 6.9 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 102.835 -3.024 . . . . 37.95 102.835 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.5 p -87.74 27.53 1.13 Allowed 'General case' 0 CA--C 1.558 1.277 0 O-C-N 123.6 0.563 . . . . 39.18 111.803 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -111.44 172.74 15.21 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 124.237 0.922 . . . . 43.37 112.636 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.69 -22.9 39.98 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.319 1.229 . . . . 43.46 114.319 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.02 163.95 21.22 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.797 0.839 . . . . 69.51 110.933 -178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.83 153.56 36.27 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 115.905 -0.588 . . . . 40.2 109.724 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -70.2 145.44 93.58 Favored Pre-proline 0 C--O 1.247 0.936 0 N-CA-C 106.686 -1.598 . . . . 39.75 106.686 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.82 165.96 24.09 Favored 'Trans proline' 0 C--O 1.244 0.81 0 N-CA-C 110.471 -0.627 . . . . 39.92 110.471 179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -71.14 155.56 60.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 CA-C-N 118.494 0.498 . . . . 39.29 111.001 176.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 31.31 56.02 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 115.993 1.157 . . . . 38.55 115.993 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -89.33 156.7 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 CA-C-N 118.218 1.009 . . . . 37.56 109.213 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 22.0 p -155.7 156.58 35.16 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 112.381 0.511 . . . . 40.23 112.381 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.0 tp -92.6 130.82 38.13 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 105.578 -2.008 . . . . 41.79 105.578 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -128.09 141.99 51.34 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 112.978 0.733 . . . . 59.64 112.978 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -64.77 132.26 49.08 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 114.483 -1.235 . . . . 51.84 108.059 175.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.55 1.83 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 116.196 1.925 . . . . 52.54 116.196 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.45 172.34 27.58 Favored Glycine 0 CA--C 1.507 -0.465 0 CA-C-N 119.424 1.011 . . . . 55.46 114.17 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.99 -165.91 54.67 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.698 -0.561 . . . . 58.57 111.698 -176.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -64.92 146.03 55.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.383 1.073 . . . . 72.37 112.971 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -108.7 137.89 45.91 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.517 -1.29 . . . . 77.2 107.517 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.736 -0.468 . . . . 65.66 109.736 -178.739 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.252 1.19 0 N-CA-C 108.797 -0.816 . . . . 57.19 108.797 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.79 5.15 8.78 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 116.258 1.947 . . . . 56.11 116.258 -171.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -161.0 136.66 7.99 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.13 0.877 . . . . 59.97 111.594 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 m -131.34 131.77 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.305 -1.369 . . . . 45.92 107.305 174.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 90.7 mmm -66.98 146.34 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 118.658 0.663 . . . . 66.44 109.523 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.9 148.01 33.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 106.249 -1.76 . . . . 40.9 106.249 178.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -73.81 157.18 36.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 119.612 -0.835 . . . . 45.55 112.26 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.5 m -76.64 90.33 3.37 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 122.74 1.257 . . . . 44.26 110.686 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 140' ' ' ALA . 47.9 mt -65.43 135.23 54.96 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 113.69 -1.595 . . . . 38.53 114.367 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -69.66 157.42 89.61 Favored Pre-proline 0 C--N 1.362 1.124 0 N-CA-C 107.66 -1.237 . . . . 59.67 107.66 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -54.11 137.44 69.9 Favored 'Trans proline' 0 C--N 1.348 0.536 0 CA-C-N 119.279 0.778 . . . . 40.61 112.509 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 70.89 4.65 5.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.83 1.652 . . . . 45.76 113.833 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -79.7 146.51 32.39 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 119.628 1.104 . . . . 50.12 110.627 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.57 HD13 ' HB3' ' A' ' 102' ' ' GLN . 30.7 mm -98.36 148.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-O 118.171 -0.918 . . . . 41.13 109.011 176.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 134' ' ' LEU . . . -138.69 141.85 38.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.981 0.512 . . . . 40.27 111.885 171.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.79 121.41 39.67 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.447 -2.427 . . . . 59.31 104.447 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 57.7 t -113.6 126.99 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 107.571 -1.27 . . . . 41.9 107.571 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 141.08 50.54 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 123.015 0.526 . . . . 46.44 111.29 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 50.8 t -131.46 131.17 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.046 -0.724 . . . . 45.11 109.046 177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -82.04 118.36 22.95 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 122.6 0.36 . . . . 68.45 110.228 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 59.2 mtt -125.18 176.43 6.73 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.977 1.102 . . . . 52.22 113.977 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.47 123.77 13.03 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.138 -1.43 . . . . 62.39 107.138 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 85.1 p -66.84 145.55 98.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.403 0.89 . . . . 63.88 113.403 -176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.57 157.77 9.06 Favored 'Trans proline' 0 C--N 1.356 0.96 0 N-CA-C 116.882 1.839 . . . . 63.92 116.882 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.0 p -69.42 -28.33 66.05 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 114.985 1.476 . . . . 71.46 114.985 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -111.27 154.34 24.62 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 118.91 0.777 . . . . 87.79 111.862 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -65.51 153.39 41.58 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.607 0.763 . . . . 64.75 111.922 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.9 22.15 Favored Glycine 0 CA--C 1.507 -0.415 0 N-CA-C 114.411 0.524 . . . . 61.15 114.411 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.0 tpp -101.86 130.56 48.36 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.208 1.403 . . . . 74.81 107.256 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -133.46 145.95 50.7 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.678 0.791 . . . . 63.24 110.521 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -138.3 130.86 29.23 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 118.846 0.748 . . . . 69.88 112.204 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -119.53 145.82 18.0 Favored Glycine 0 C--O 1.223 -0.583 0 N-CA-C 110.899 -0.88 . . . . 49.63 110.899 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -108.05 143.21 37.08 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.743 1.217 . . . . 60.63 109.269 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -136.14 157.61 46.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.486 1.514 . . . . 42.77 107.734 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -160.54 144.14 13.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.381 -0.6 . . . . 36.87 109.381 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 93.9 mmm -66.41 153.88 41.62 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 110.064 -0.347 . . . . 42.22 110.064 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 20.2 t -148.94 139.03 22.19 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.207 0.603 . . . . 47.11 110.842 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 10.8 p -86.38 165.8 16.08 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 116.055 -0.52 . . . . 37.77 110.092 -178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -54.18 -27.71 35.74 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 125.156 1.383 . . . . 38.55 111.842 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 74.4 p -86.03 -6.64 59.0 Favored 'General case' 0 C--O 1.207 -1.181 0 CA-C-O 118.506 -0.759 . . . . 47.95 112.993 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 97.54 11.79 49.98 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 116.113 1.205 . . . . 40.15 116.113 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -91.18 123.13 34.4 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.661 -0.866 . . . . 43.18 108.661 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -81.71 150.38 28.02 Favored 'General case' 0 CA--C 1.495 -1.139 0 O-C-N 123.477 0.486 . . . . 47.14 110.806 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -155.58 166.71 32.69 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 110.423 -0.214 . . . . 42.34 110.423 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 84.21 -174.69 50.98 Favored Glycine 0 CA--C 1.502 -0.773 0 N-CA-C 115.85 1.1 . . . . 39.76 115.85 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -71.08 148.75 47.18 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.043 0.537 . . . . 51.44 110.925 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 78.9 t -81.61 133.59 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 103.116 -2.92 . . . . 43.28 103.116 171.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.9 pt -115.35 151.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.427 -0.583 . . . . 45.28 109.427 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -119.97 153.67 35.63 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 117.044 2.239 . . . . 51.81 117.044 -173.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.29 115.13 46.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 N-CA-C 102.281 -3.229 . . . . 50.0 102.281 172.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 5.8 mt -122.9 118.15 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 107.884 -1.154 . . . . 56.27 107.884 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 83.0 mt -117.08 135.96 53.34 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 114.173 1.175 . . . . 57.4 114.173 -175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 32.8 t -112.32 98.96 7.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 104.887 -2.264 . . . . 63.22 104.887 172.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.89 127.56 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.92 -1.141 . . . . 62.8 107.92 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 118.425 0.557 . . . . 99.0 110.707 -177.736 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_