data_6akp_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 6akp _Structure_validation_residue.Date_analyzed 2019-02-01 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 ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.192 0 O4'-C1'-C2' 107.763 1.512 . . . . 140.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ' DC' . . . . . 0.444 ' O2 ' ' N2 ' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.531 1.325 0 O4'-C1'-C2' 107.811 1.555 . . . . 148.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.501 0 C4'-C3'-C2' 104.702 1.502 . . . . 155.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.406 ' O2 ' ' N2 ' ' B' ' 21' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.534 1.554 0 O4'-C1'-N19 109.291 1.864 . . . . 141.98 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.135 0 O4'-C1'-N19 108.641 1.051 . . . . 128.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 104.431 1.231 . . . . 131.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.245 0 C3'-C2'-C1' 100.568 -1.523 . . . . 120.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.762 0 C4'-C3'-C2' 102.116 -1.084 . . . . 106.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ' DA' . . . . . 0.409 ' N1 ' ' N3 ' ' B' ' 16' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.36 0 P-O5'-C5' 119.231 -1.043 . . . . 106.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 C4'-C3'-C2' 104.226 1.026 . . . . 101.37 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.629 0 C4'-C3'-C2' 104.485 1.285 . . . . 120.73 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 P-O5'-C5' 119.578 -0.826 . . . . 103.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ' DG' . . . . . 0.408 ' N2 ' ' O2 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.534 1.551 0 P-O3'-C3' 120.999 1.082 . . . . 92.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.014 0 C4'-C3'-C2' 104.537 1.337 . . . . 85.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ' DG' . . . . . 0.504 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 P-O3'-C3' 121.016 1.097 . . . . 98.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 C4'-C3'-C2' 104.789 1.589 . . . . 105.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.169 0 O4'-C1'-C2' 107.856 1.596 . . . . 141.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.504 ' O2 ' ' N2 ' ' A' ' 23' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.533 1.5 0 O4'-C1'-C2' 107.798 1.543 . . . . 140.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.33 0 C4'-C3'-C2' 104.407 1.207 . . . . 141.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.408 ' O2 ' ' N2 ' ' A' ' 21' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.539 2.091 0 O4'-C1'-N19 109.037 1.546 . . . . 120.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 P-O3'-C3' 121.272 1.31 . . . . 116.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.121 0 C1'-O4'-C4' 107.647 -1.467 . . . . 115.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.349 0 O4'-C1'-N19 109.055 1.569 . . . . 106.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ' DT' . . . . . 0.409 ' N3 ' ' N1 ' ' A' ' 17' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.514 -1.416 0 C4'-C3'-C2' 101.815 -1.385 . . . . 108.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.479 0 P-O3'-C3' 121.096 1.163 . . . . 103.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.185 0 C4'-C3'-C2' 104.579 1.379 . . . . 99.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.542 0 P-O3'-C3' 121.156 1.214 . . . . 99.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 P-O3'-C3' 121.025 1.104 . . . . 83.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ' DG' . . . . . 0.406 ' N2 ' ' O2 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.544 2.642 0 C4'-C3'-C2' 104.641 1.441 . . . . 85.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.535 1.699 0 P-O3'-C3' 120.964 1.053 . . . . 90.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.444 ' N2 ' ' O2 ' ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.53 1.184 0 O4'-C1'-N19 108.743 1.179 . . . . 123.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.503 0 O4'-C1'-N19 108.805 1.256 . . . . 139.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 120.446 -0.085 . . . . 91.96 112.996 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.23 149.57 45.88 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 O-C-N 122.71 0.848 . . . . 84.43 111.502 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -68.5 139.01 91.47 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.084 -0.962 . . . . 90.36 109.735 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.03 157.59 48.18 Favored 'Trans proline' 0 C--O 1.242 0.675 0 C-N-CA 120.529 0.82 . . . . 65.12 110.892 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.23 8.76 3.39 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 121.04 1.16 . . . . 68.61 115.032 -174.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -94.57 141.61 28.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 119.347 0.976 . . . . 60.46 111.017 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 83.5 p -74.1 164.59 26.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.698 0.761 . . . . 59.43 110.37 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.59 -31.67 71.74 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.434 -0.803 . . . . 69.23 111.388 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.44 -39.55 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.887 0.375 . . . . 61.35 110.368 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.32 86.23 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.609 -0.436 . . . . 57.58 111.342 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.55 -49.64 76.75 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 56.06 111.045 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.82 -42.78 86.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 120.706 -0.398 . . . . 60.64 110.613 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -65.18 -37.99 89.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.444 -0.502 . . . . 54.39 111.474 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' MET . . . . . . . . . . . . . 39.6 mtt -58.06 -48.2 80.84 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.695 -0.402 . . . . 69.09 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.44 97.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.657 -0.417 . . . . 57.71 111.35 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.1 -47.29 90.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.188 0.518 . . . . 61.18 110.464 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.05 -30.36 71.44 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.971 -0.456 . . . . 60.11 111.675 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.06 -30.4 62.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.615 -0.434 . . . . 66.43 111.931 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.94 90.2 Favored Pre-proline 0 C--O 1.237 0.433 0 C-N-CA 120.719 -0.392 . . . . 70.71 110.022 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.05 -36.48 37.56 Favored 'Trans proline' 0 C--O 1.238 0.479 0 CA-C-N 118.396 0.463 . . . . 82.86 113.253 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.45 10.13 31.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.722 0.638 . . . . 107.58 112.722 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm 57.33 25.85 11.71 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.171 0.588 . . . . 71.6 111.814 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -141.67 143.52 33.64 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.948 -1.13 . . . . 81.0 107.948 174.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.22 145.31 13.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.05 -0.722 . . . . 66.23 109.05 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' THR . . . . . . . . . . . . . 45.1 p -79.65 169.99 17.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.948 0.88 . . . . 62.73 110.449 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.36 -42.89 92.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.274 -0.875 . . . . 62.71 111.305 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 96' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.79 -38.29 90.55 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.679 -0.809 . . . . 69.34 111.037 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.71 -32.98 62.25 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.145 -1.026 . . . . 60.63 112.942 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 87.3 mt -70.05 -41.42 79.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 117.363 0.581 . . . . 59.71 110.515 175.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -57.13 -50.3 73.22 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.986 -0.446 . . . . 65.36 110.921 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.48 -41.89 98.58 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.891 -0.324 . . . . 89.92 111.411 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -56.13 -47.83 77.42 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.359 -0.536 . . . . 56.96 110.826 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.87 -43.39 89.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 120.832 0.348 . . . . 58.4 110.783 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.05 -31.29 67.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.219 -0.592 . . . . 76.15 112.03 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.57 -37.34 84.74 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.187 -0.605 . . . . 82.59 111.666 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -101.22 -16.87 16.84 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.976 1.102 . . . . 77.8 113.976 -173.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.77 98.46 22.04 Favored Pre-proline 0 C--O 1.246 0.868 0 CA-C-N 118.801 0.728 . . . . 68.46 109.672 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.11 -22.59 73.22 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 120.385 0.723 . . . . 73.57 113.974 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.39 -30.68 68.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.573 0.624 . . . . 68.51 111.85 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -88.64 7.49 33.26 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.11 0.782 . . . . 66.55 113.11 -176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -79.39 -6.47 56.89 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.572 0.582 . . . . 77.42 112.572 172.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -117.5 155.57 29.5 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.151 0.58 . . . . 120.78 109.846 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 46.16 56.8 5.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 122.0 0.905 . . . . 90.38 111.044 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -63.9 -29.64 70.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.952 -1.022 . . . . 90.64 111.656 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.56 -55.87 19.19 Favored 'General case' 0 N--CA 1.426 -1.675 0 C-N-CA 118.182 -1.407 . . . . 108.07 111.873 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.22 -58.21 15.37 Favored Glycine 0 C--O 1.204 -1.733 0 N-CA-C 119.726 2.651 . . . . 77.17 119.726 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -75.82 -28.01 58.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.262 -1.375 . . . . 66.21 112.76 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.68 -23.92 64.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.043 -1.063 . . . . 68.51 111.409 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -73.88 -39.24 64.05 Favored 'General case' 0 C--O 1.195 -1.784 0 N-CA-C 107.547 -1.279 . . . . 82.7 107.547 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 71.6 m -67.64 -28.28 67.58 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.673 -0.411 . . . . 67.13 111.579 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' ILE . . . . . . . . . . . . . 24.7 mm -67.36 -48.16 78.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.486 -0.486 . . . . 62.09 110.224 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -62.19 -39.07 91.46 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.614 -0.434 . . . . 71.13 111.083 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -64.97 -40.05 94.41 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.51 -0.476 . . . . 84.75 111.184 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -69.0 -30.12 68.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.507 -0.477 . . . . 65.02 111.91 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.18 -37.72 81.27 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.946 -0.702 . . . . 71.45 111.251 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' SER . . . . . . . . . . . . . 73.8 m -81.85 -38.88 24.76 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.076 0.399 . . . . 75.08 112.076 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.6 -61.81 1.88 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.034 0.445 . . . . 84.4 111.119 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -69.73 130.03 41.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.833 0.349 . . . . 77.75 111.616 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.51 -31.79 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.72 -0.673 . . . . 120.56 111.132 173.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.23 -14.7 19.09 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.134 0.79 . . . . 73.82 113.134 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 130' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.36 114.21 25.58 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.229 -1.026 . . . . 67.22 108.229 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.81 136.15 49.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.364 -0.606 . . . . 71.23 109.364 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.65 140.06 31.61 Favored 'General case' 0 C--O 1.188 -2.144 0 C-N-CA 123.34 0.656 . . . . 94.26 110.918 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.11 135.42 21.24 Favored Pre-proline 0 C--N 1.304 -1.372 0 N-CA-C 108.265 -1.013 . . . . 74.7 108.265 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 134' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.04 164.17 33.0 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 CA-C-O 122.095 0.79 . . . . 96.79 111.586 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -92.41 -175.45 4.01 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.936 -1.029 . . . . 117.28 110.414 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.646 . . . . 129.81 111.265 -178.415 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.087 0.403 . . . . 128.28 112.087 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.92 -61.26 3.84 Favored Glycine 0 N--CA 1.449 -0.445 1 N-CA-C 125.068 4.787 . . . . 122.81 125.068 -175.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.3 157.8 3.43 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 123.691 0.796 . . . . 98.54 109.235 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -94.77 134.77 37.02 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 123.331 0.653 . . . . 92.86 109.78 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 146' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -103.2 130.57 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.769 -0.826 . . . . 67.5 108.769 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 1.8 p -130.27 167.08 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 65.14 109.355 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.73 133.08 37.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.416 -0.811 . . . . 58.06 109.555 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 149' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -54.76 130.15 65.01 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.385 -0.968 . . . . 74.1 108.385 164.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 150' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.04 -34.8 88.45 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.171 0.74 . . . . 66.39 113.76 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 151' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.11 -19.32 62.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.403 0.547 . . . . 87.56 112.286 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 152' ' ' SER . . . . . . . . . . . . . 4.4 m -117.34 13.17 14.49 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.791 0.663 . . . . 76.78 112.791 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 153' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -62.95 -34.43 77.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.869 -0.732 . . . . 61.18 111.638 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 154' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -113.3 39.09 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.442 0.697 . . . . 62.3 111.341 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 155' ' ' MET . . . . . . . . . . . . . 24.6 mtm -44.14 -41.34 5.6 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.472 0.709 . . . . 73.19 111.676 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -99.89 92.58 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.734 -1.58 . . . . 71.22 106.734 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -71.44 -37.99 71.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 87.59 112.237 -164.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 158' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -84.38 -3.76 58.49 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.479 0.918 . . . . 76.5 113.479 -174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.05 1.91 90.19 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 115.538 0.975 . . . . 69.41 115.538 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 54.2 p -87.24 -16.01 36.48 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.668 1.234 . . . . 65.39 112.834 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 161' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 59.73 23.15 12.0 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.359 1.064 . . . . 57.94 112.412 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 162' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.96 -25.03 16.11 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.979 0.733 . . . . 66.59 112.979 174.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 163' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -131.27 131.79 44.12 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.046 -0.724 . . . . 117.25 109.046 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -109.72 125.46 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.02 0.528 . . . . 87.44 109.978 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 165' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.53 147.59 40.89 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.399 0.619 . . . . 96.97 110.732 171.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 166' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -94.5 175.85 6.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.824 0.821 . . . . 127.65 110.729 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.08 143.17 34.21 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 118.927 -1.109 . . . . 126.31 111.213 -166.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 168' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.243 0.762 0 CA-C-N 114.915 -1.038 . . . . 114.87 108.939 171.94 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 200' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.192 0 O4'-C1'-C2' 107.763 1.512 . . . . 140.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.325 0 O4'-C1'-C2' 107.811 1.555 . . . . 148.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.501 0 C4'-C3'-C2' 104.702 1.502 . . . . 155.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ' DC' . . . . . 0.454 H2'' ' C8 ' ' A' ' 13' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.534 1.554 0 O4'-C1'-N19 109.291 1.864 . . . . 141.98 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ' DA' . . . . . 0.454 ' C8 ' H2'' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.416 -1.135 0 O4'-C1'-N19 108.641 1.051 . . . . 128.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 104.431 1.231 . . . . 131.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.245 0 C3'-C2'-C1' 100.568 -1.523 . . . . 120.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.762 0 C4'-C3'-C2' 102.116 -1.084 . . . . 106.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.36 0 P-O5'-C5' 119.231 -1.043 . . . . 106.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ' DT' . . . . . 0.454 H2'' ' O2 ' ' A' ' 19' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.537 1.929 0 C4'-C3'-C2' 104.226 1.026 . . . . 101.37 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ' DT' . . . . . 0.454 ' O2 ' H2'' ' A' ' 18' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.534 1.629 0 C4'-C3'-C2' 104.485 1.285 . . . . 120.73 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 P-O5'-C5' 119.578 -0.826 . . . . 103.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.551 0 P-O3'-C3' 120.999 1.082 . . . . 92.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.014 0 C4'-C3'-C2' 104.537 1.337 . . . . 85.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 P-O3'-C3' 121.016 1.097 . . . . 98.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 C4'-C3'-C2' 104.789 1.589 . . . . 105.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.169 0 O4'-C1'-C2' 107.856 1.596 . . . . 141.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DC' . . . . . 0.46 " H2'" ' C8 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.533 1.5 0 O4'-C1'-C2' 107.798 1.543 . . . . 140.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DA' . . . . . 0.46 ' C8 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.531 1.33 0 C4'-C3'-C2' 104.407 1.207 . . . . 141.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DC' . . . . . 0.42 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.539 2.091 0 O4'-C1'-N19 109.037 1.546 . . . . 120.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 P-O3'-C3' 121.272 1.31 . . . . 116.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ' DA' . . . . . 0.414 ' H62' ' C7 ' ' A' ' 19' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.539 2.121 0 C1'-O4'-C4' 107.647 -1.467 . . . . 115.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.349 0 O4'-C1'-N19 109.055 1.569 . . . . 106.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.514 -1.416 0 C4'-C3'-C2' 101.815 -1.385 . . . . 108.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.479 0 P-O3'-C3' 121.096 1.163 . . . . 103.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.185 0 C4'-C3'-C2' 104.579 1.379 . . . . 99.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.542 0 P-O3'-C3' 121.156 1.214 . . . . 99.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 P-O3'-C3' 121.025 1.104 . . . . 83.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.642 0 C4'-C3'-C2' 104.641 1.441 . . . . 85.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.535 1.699 0 P-O3'-C3' 120.964 1.053 . . . . 90.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.184 0 O4'-C1'-N19 108.743 1.179 . . . . 123.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.503 0 O4'-C1'-N19 108.805 1.256 . . . . 139.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 120.446 -0.085 . . . . 91.96 112.996 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.23 149.57 45.88 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 O-C-N 122.71 0.848 . . . . 84.43 111.502 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -68.5 139.01 91.47 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.084 -0.962 . . . . 90.36 109.735 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.03 157.59 48.18 Favored 'Trans proline' 0 C--O 1.242 0.675 0 C-N-CA 120.529 0.82 . . . . 65.12 110.892 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.23 8.76 3.39 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 121.04 1.16 . . . . 68.61 115.032 -174.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -94.57 141.61 28.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 119.347 0.976 . . . . 60.46 111.017 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 83.5 p -74.1 164.59 26.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.698 0.761 . . . . 59.43 110.37 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.59 -31.67 71.74 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.434 -0.803 . . . . 69.23 111.388 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.44 -39.55 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.887 0.375 . . . . 61.35 110.368 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.32 86.23 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.609 -0.436 . . . . 57.58 111.342 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.55 -49.64 76.75 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 56.06 111.045 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.82 -42.78 86.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 120.706 -0.398 . . . . 60.64 110.613 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -65.18 -37.99 89.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.444 -0.502 . . . . 54.39 111.474 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 83' ' ' MET . . . . . . . . . . . . . 39.6 mtt -58.06 -48.2 80.84 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.695 -0.402 . . . . 69.09 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.44 97.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.657 -0.417 . . . . 57.71 111.35 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.1 -47.29 90.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.188 0.518 . . . . 61.18 110.464 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 86' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.05 -30.36 71.44 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.971 -0.456 . . . . 60.11 111.675 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.06 -30.4 62.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.615 -0.434 . . . . 66.43 111.931 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.94 90.2 Favored Pre-proline 0 C--O 1.237 0.433 0 C-N-CA 120.719 -0.392 . . . . 70.71 110.022 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.05 -36.48 37.56 Favored 'Trans proline' 0 C--O 1.238 0.479 0 CA-C-N 118.396 0.463 . . . . 82.86 113.253 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.45 10.13 31.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.722 0.638 . . . . 107.58 112.722 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm 57.33 25.85 11.71 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.171 0.588 . . . . 71.6 111.814 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -141.67 143.52 33.64 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.948 -1.13 . . . . 81.0 107.948 174.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.22 145.31 13.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.05 -0.722 . . . . 66.23 109.05 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 94' ' ' THR . . . . . . . . . . . . . 45.1 p -79.65 169.99 17.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.948 0.88 . . . . 62.73 110.449 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.36 -42.89 92.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.274 -0.875 . . . . 62.71 111.305 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 96' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.79 -38.29 90.55 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.679 -0.809 . . . . 69.34 111.037 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.71 -32.98 62.25 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.145 -1.026 . . . . 60.63 112.942 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 87.3 mt -70.05 -41.42 79.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 117.363 0.581 . . . . 59.71 110.515 175.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -57.13 -50.3 73.22 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.986 -0.446 . . . . 65.36 110.921 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.48 -41.89 98.58 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.891 -0.324 . . . . 89.92 111.411 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -56.13 -47.83 77.42 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.359 -0.536 . . . . 56.96 110.826 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 102' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.87 -43.39 89.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 120.832 0.348 . . . . 58.4 110.783 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 103' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.05 -31.29 67.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.219 -0.592 . . . . 76.15 112.03 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.57 -37.34 84.74 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.187 -0.605 . . . . 82.59 111.666 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 105' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -101.22 -16.87 16.84 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.976 1.102 . . . . 77.8 113.976 -173.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.77 98.46 22.04 Favored Pre-proline 0 C--O 1.246 0.868 0 CA-C-N 118.801 0.728 . . . . 68.46 109.672 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 107' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.11 -22.59 73.22 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 120.385 0.723 . . . . 73.57 113.974 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.39 -30.68 68.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.573 0.624 . . . . 68.51 111.85 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -88.64 7.49 33.26 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.11 0.782 . . . . 66.55 113.11 -176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -79.39 -6.47 56.89 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.572 0.582 . . . . 77.42 112.572 172.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -117.5 155.57 29.5 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.151 0.58 . . . . 120.78 109.846 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 112' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 46.16 56.8 5.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 122.0 0.905 . . . . 90.38 111.044 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -63.9 -29.64 70.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.952 -1.022 . . . . 90.64 111.656 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.56 -55.87 19.19 Favored 'General case' 0 N--CA 1.426 -1.675 0 C-N-CA 118.182 -1.407 . . . . 108.07 111.873 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.22 -58.21 15.37 Favored Glycine 0 C--O 1.204 -1.733 0 N-CA-C 119.726 2.651 . . . . 77.17 119.726 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 116' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -75.82 -28.01 58.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.262 -1.375 . . . . 66.21 112.76 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 117' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.68 -23.92 64.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.043 -1.063 . . . . 68.51 111.409 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 118' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -73.88 -39.24 64.05 Favored 'General case' 0 C--O 1.195 -1.784 0 N-CA-C 107.547 -1.279 . . . . 82.7 107.547 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 71.6 m -67.64 -28.28 67.58 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.673 -0.411 . . . . 67.13 111.579 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 120' ' ' ILE . . . . . . . . . . . . . 24.7 mm -67.36 -48.16 78.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.486 -0.486 . . . . 62.09 110.224 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 121' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -62.19 -39.07 91.46 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.614 -0.434 . . . . 71.13 111.083 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -64.97 -40.05 94.41 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.51 -0.476 . . . . 84.75 111.184 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -69.0 -30.12 68.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.507 -0.477 . . . . 65.02 111.91 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 124' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.18 -37.72 81.27 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.946 -0.702 . . . . 71.45 111.251 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 125' ' ' SER . . . . . . . . . . . . . 73.8 m -81.85 -38.88 24.76 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.076 0.399 . . . . 75.08 112.076 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.6 -61.81 1.88 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.034 0.445 . . . . 84.4 111.119 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -69.73 130.03 41.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.833 0.349 . . . . 77.75 111.616 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.51 -31.79 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.72 -0.673 . . . . 120.56 111.132 173.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.23 -14.7 19.09 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.134 0.79 . . . . 73.82 113.134 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 130' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.36 114.21 25.58 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.229 -1.026 . . . . 67.22 108.229 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.81 136.15 49.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.364 -0.606 . . . . 71.23 109.364 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.65 140.06 31.61 Favored 'General case' 0 C--O 1.188 -2.144 0 C-N-CA 123.34 0.656 . . . . 94.26 110.918 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.11 135.42 21.24 Favored Pre-proline 0 C--N 1.304 -1.372 0 N-CA-C 108.265 -1.013 . . . . 74.7 108.265 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 134' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.04 164.17 33.0 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 CA-C-O 122.095 0.79 . . . . 96.79 111.586 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -92.41 -175.45 4.01 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.936 -1.029 . . . . 117.28 110.414 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.646 . . . . 129.81 111.265 -178.415 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.087 0.403 . . . . 128.28 112.087 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.92 -61.26 3.84 Favored Glycine 0 N--CA 1.449 -0.445 1 N-CA-C 125.068 4.787 . . . . 122.81 125.068 -175.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.3 157.8 3.43 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 123.691 0.796 . . . . 98.54 109.235 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -94.77 134.77 37.02 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 123.331 0.653 . . . . 92.86 109.78 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 146' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -103.2 130.57 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.769 -0.826 . . . . 67.5 108.769 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 1.8 p -130.27 167.08 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 65.14 109.355 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.73 133.08 37.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.416 -0.811 . . . . 58.06 109.555 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 149' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -54.76 130.15 65.01 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.385 -0.968 . . . . 74.1 108.385 164.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 150' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.04 -34.8 88.45 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.171 0.74 . . . . 66.39 113.76 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 151' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.11 -19.32 62.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.403 0.547 . . . . 87.56 112.286 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 152' ' ' SER . . . . . . . . . . . . . 4.4 m -117.34 13.17 14.49 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.791 0.663 . . . . 76.78 112.791 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 153' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -62.95 -34.43 77.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.869 -0.732 . . . . 61.18 111.638 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 154' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -113.3 39.09 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.442 0.697 . . . . 62.3 111.341 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 155' ' ' MET . . . . . . . . . . . . . 24.6 mtm -44.14 -41.34 5.6 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.472 0.709 . . . . 73.19 111.676 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -99.89 92.58 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.734 -1.58 . . . . 71.22 106.734 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -71.44 -37.99 71.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 87.59 112.237 -164.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 158' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -84.38 -3.76 58.49 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.479 0.918 . . . . 76.5 113.479 -174.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.05 1.91 90.19 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 115.538 0.975 . . . . 69.41 115.538 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 54.2 p -87.24 -16.01 36.48 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.668 1.234 . . . . 65.39 112.834 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 161' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 59.73 23.15 12.0 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.359 1.064 . . . . 57.94 112.412 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 162' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.96 -25.03 16.11 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.979 0.733 . . . . 66.59 112.979 174.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 163' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -131.27 131.79 44.12 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.046 -0.724 . . . . 117.25 109.046 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -109.72 125.46 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.02 0.528 . . . . 87.44 109.978 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 165' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.53 147.59 40.89 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.399 0.619 . . . . 96.97 110.732 171.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 166' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -94.5 175.85 6.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.824 0.821 . . . . 127.65 110.729 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 167' ' ' ARG . . . . . 0.674 ' HD3' ' H ' ' C' ' 168' ' ' PHE . 0.9 OUTLIER -80.08 143.17 34.21 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 118.927 -1.109 . . . . 126.31 111.213 -166.537 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 168' ' ' PHE . . . . . 0.674 ' H ' ' HD3' ' C' ' 167' ' ' ARG . 9.3 m-85 . . . . . 0 C--O 1.243 0.762 0 CA-C-N 114.915 -1.038 . . . . 114.87 108.939 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 200' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.192 0 O4'-C1'-C2' 107.763 1.512 . . . . 140.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.325 0 O4'-C1'-C2' 107.811 1.555 . . . . 148.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.501 0 C4'-C3'-C2' 104.702 1.502 . . . . 155.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.454 H2'' ' C8 ' ' A' ' 13' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.534 1.554 0 O4'-C1'-N19 109.291 1.864 . . . . 141.98 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ' DA' . . . . . 0.454 ' C8 ' H2'' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.416 -1.135 0 O4'-C1'-N19 108.641 1.051 . . . . 128.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 104.431 1.231 . . . . 131.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.245 0 C3'-C2'-C1' 100.568 -1.523 . . . . 120.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.762 0 C4'-C3'-C2' 102.116 -1.084 . . . . 106.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.36 0 P-O5'-C5' 119.231 -1.043 . . . . 106.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ' DT' . . . . . 0.454 H2'' ' O2 ' ' A' ' 19' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.537 1.929 0 C4'-C3'-C2' 104.226 1.026 . . . . 101.37 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ' DT' . . . . . 0.454 ' O2 ' H2'' ' A' ' 18' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.534 1.629 0 C4'-C3'-C2' 104.485 1.285 . . . . 120.73 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 P-O5'-C5' 119.578 -0.826 . . . . 103.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.551 0 P-O3'-C3' 120.999 1.082 . . . . 92.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.014 0 C4'-C3'-C2' 104.537 1.337 . . . . 85.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 P-O3'-C3' 121.016 1.097 . . . . 98.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 C4'-C3'-C2' 104.789 1.589 . . . . 105.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.169 0 O4'-C1'-C2' 107.856 1.596 . . . . 141.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.46 " H2'" ' C8 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.533 1.5 0 O4'-C1'-C2' 107.798 1.543 . . . . 140.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.46 ' C8 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.531 1.33 0 C4'-C3'-C2' 104.407 1.207 . . . . 141.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.42 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.539 2.091 0 O4'-C1'-N19 109.037 1.546 . . . . 120.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 P-O3'-C3' 121.272 1.31 . . . . 116.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.414 ' H62' ' C7 ' ' A' ' 19' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.539 2.121 0 C1'-O4'-C4' 107.647 -1.467 . . . . 115.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.349 0 O4'-C1'-N19 109.055 1.569 . . . . 106.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.514 -1.416 0 C4'-C3'-C2' 101.815 -1.385 . . . . 108.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.479 0 P-O3'-C3' 121.096 1.163 . . . . 103.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.185 0 C4'-C3'-C2' 104.579 1.379 . . . . 99.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.542 0 P-O3'-C3' 121.156 1.214 . . . . 99.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 P-O3'-C3' 121.025 1.104 . . . . 83.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.642 0 C4'-C3'-C2' 104.641 1.441 . . . . 85.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.535 1.699 0 P-O3'-C3' 120.964 1.053 . . . . 90.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.184 0 O4'-C1'-N19 108.743 1.179 . . . . 123.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.503 0 O4'-C1'-N19 108.805 1.256 . . . . 139.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 120.446 -0.085 . . . . 91.96 112.996 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.23 149.57 45.88 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 O-C-N 122.71 0.848 . . . . 84.43 111.502 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -68.5 139.01 91.47 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.084 -0.962 . . . . 90.36 109.735 177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.03 157.59 48.18 Favored 'Trans proline' 0 C--O 1.242 0.675 0 C-N-CA 120.529 0.82 . . . . 65.12 110.892 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.23 8.76 3.39 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 121.04 1.16 . . . . 68.61 115.032 -174.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -94.57 141.61 28.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 119.347 0.976 . . . . 60.46 111.017 -172.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 83.5 p -74.1 164.59 26.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.698 0.761 . . . . 59.43 110.37 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -61.59 -31.67 71.74 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.434 -0.803 . . . . 69.23 111.388 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.44 -39.55 80.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 120.887 0.375 . . . . 61.35 110.368 177.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.32 86.23 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.609 -0.436 . . . . 57.58 111.342 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.55 -49.64 76.75 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.602 -0.439 . . . . 56.06 111.045 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.82 -42.78 86.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 120.706 -0.398 . . . . 60.64 110.613 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -65.18 -37.99 89.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.444 -0.502 . . . . 54.39 111.474 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' MET . . . . . . . . . . . . . 39.6 mtt -58.06 -48.2 80.84 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.695 -0.402 . . . . 69.09 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.44 97.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.657 -0.417 . . . . 57.71 111.35 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.1 -47.29 90.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.188 0.518 . . . . 61.18 110.464 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.05 -30.36 71.44 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.971 -0.456 . . . . 60.11 111.675 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -74.06 -30.4 62.37 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.615 -0.434 . . . . 66.43 111.931 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 140.94 90.2 Favored Pre-proline 0 C--O 1.237 0.433 0 C-N-CA 120.719 -0.392 . . . . 70.71 110.022 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -65.05 -36.48 37.56 Favored 'Trans proline' 0 C--O 1.238 0.479 0 CA-C-N 118.396 0.463 . . . . 82.86 113.253 -176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -92.45 10.13 31.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.722 0.638 . . . . 107.58 112.722 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm 57.33 25.85 11.71 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.171 0.588 . . . . 71.6 111.814 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -141.67 143.52 33.64 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.948 -1.13 . . . . 81.0 107.948 174.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.22 145.31 13.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.05 -0.722 . . . . 66.23 109.05 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' THR . . . . . . . . . . . . . 45.1 p -79.65 169.99 17.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.948 0.88 . . . . 62.73 110.449 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.36 -42.89 92.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.274 -0.875 . . . . 62.71 111.305 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 96' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.79 -38.29 90.55 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.679 -0.809 . . . . 69.34 111.037 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.71 -32.98 62.25 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.145 -1.026 . . . . 60.63 112.942 173.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' ILE . . . . . . . . . . . . . 87.3 mt -70.05 -41.42 79.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 117.363 0.581 . . . . 59.71 110.515 175.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -57.13 -50.3 73.22 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.986 -0.446 . . . . 65.36 110.921 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.48 -41.89 98.58 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.891 -0.324 . . . . 89.92 111.411 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -56.13 -47.83 77.42 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.359 -0.536 . . . . 56.96 110.826 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.87 -43.39 89.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 120.832 0.348 . . . . 58.4 110.783 -175.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' MET . . . . . . . . . . . . . 71.7 mtm -71.05 -31.29 67.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.219 -0.592 . . . . 76.15 112.03 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.57 -37.34 84.74 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.187 -0.605 . . . . 82.59 111.666 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -101.22 -16.87 16.84 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 113.976 1.102 . . . . 77.8 113.976 -173.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -129.77 98.46 22.04 Favored Pre-proline 0 C--O 1.246 0.868 0 CA-C-N 118.801 0.728 . . . . 68.46 109.672 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.11 -22.59 73.22 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 120.385 0.723 . . . . 73.57 113.974 -174.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.39 -30.68 68.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.573 0.624 . . . . 68.51 111.85 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -88.64 7.49 33.26 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.11 0.782 . . . . 66.55 113.11 -176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -79.39 -6.47 56.89 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.572 0.582 . . . . 77.42 112.572 172.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -117.5 155.57 29.5 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.151 0.58 . . . . 120.78 109.846 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 46.16 56.8 5.82 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 122.0 0.905 . . . . 90.38 111.044 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -63.9 -29.64 70.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.952 -1.022 . . . . 90.64 111.656 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.56 -55.87 19.19 Favored 'General case' 0 N--CA 1.426 -1.675 0 C-N-CA 118.182 -1.407 . . . . 108.07 111.873 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' GLY . . . . . . . . . . . . . . . -56.22 -58.21 15.37 Favored Glycine 0 C--O 1.204 -1.733 0 N-CA-C 119.726 2.651 . . . . 77.17 119.726 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -75.82 -28.01 58.12 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.262 -1.375 . . . . 66.21 112.76 -176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.68 -23.92 64.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.043 -1.063 . . . . 68.51 111.409 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -73.88 -39.24 64.05 Favored 'General case' 0 C--O 1.195 -1.784 0 N-CA-C 107.547 -1.279 . . . . 82.7 107.547 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 71.6 m -67.64 -28.28 67.58 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.673 -0.411 . . . . 67.13 111.579 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' ILE . . . . . . . . . . . . . 24.7 mm -67.36 -48.16 78.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 C-N-CA 120.486 -0.486 . . . . 62.09 110.224 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' ARG . . . . . . . . . . . . . 69.7 mtm-85 -62.19 -39.07 91.46 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.614 -0.434 . . . . 71.13 111.083 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -64.97 -40.05 94.41 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.51 -0.476 . . . . 84.75 111.184 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -69.0 -30.12 68.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.507 -0.477 . . . . 65.02 111.91 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.18 -37.72 81.27 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.946 -0.702 . . . . 71.45 111.251 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' SER . . . . . . . . . . . . . 73.8 m -81.85 -38.88 24.76 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.076 0.399 . . . . 75.08 112.076 -177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.6 -61.81 1.88 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.034 0.445 . . . . 84.4 111.119 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 127' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -69.73 130.03 41.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.833 0.349 . . . . 77.75 111.616 -172.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.51 -31.79 68.21 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.72 -0.673 . . . . 120.56 111.132 173.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.23 -14.7 19.09 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.134 0.79 . . . . 73.82 113.134 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 130' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -114.36 114.21 25.58 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.229 -1.026 . . . . 67.22 108.229 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 131' ' ' VAL . . . . . . . . . . . . . 3.0 m -112.81 136.15 49.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 N-CA-C 109.364 -0.606 . . . . 71.23 109.364 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.65 140.06 31.61 Favored 'General case' 0 C--O 1.188 -2.144 0 C-N-CA 123.34 0.656 . . . . 94.26 110.918 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 133' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.11 135.42 21.24 Favored Pre-proline 0 C--N 1.304 -1.372 0 N-CA-C 108.265 -1.013 . . . . 74.7 108.265 -174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 134' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.04 164.17 33.0 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 CA-C-O 122.095 0.79 . . . . 96.79 111.586 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -92.41 -175.45 4.01 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.936 -1.029 . . . . 117.28 110.414 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.78 -0.646 . . . . 129.81 111.265 -178.415 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 C--O 1.234 0.255 0 N-CA-C 112.087 0.403 . . . . 128.28 112.087 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.92 -61.26 3.84 Favored Glycine 0 N--CA 1.449 -0.445 1 N-CA-C 125.068 4.787 . . . . 122.81 125.068 -175.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.3 157.8 3.43 Favored 'General case' 0 C--O 1.204 -1.316 0 C-N-CA 123.691 0.796 . . . . 98.54 109.235 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -94.77 134.77 37.02 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 123.331 0.653 . . . . 92.86 109.78 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 146' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -103.2 130.57 50.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.769 -0.826 . . . . 67.5 108.769 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 1.8 p -130.27 167.08 19.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.566 0.698 . . . . 65.14 109.355 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 148' ' ' LEU . . . . . . . . . . . . . 10.7 mt -93.73 133.08 37.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.416 -0.811 . . . . 58.06 109.555 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 149' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -54.76 130.15 65.01 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.385 -0.968 . . . . 74.1 108.385 164.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 150' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.04 -34.8 88.45 Favored 'Trans proline' 0 C--O 1.238 0.489 0 CA-C-N 119.171 0.74 . . . . 66.39 113.76 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 151' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.11 -19.32 62.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.403 0.547 . . . . 87.56 112.286 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 152' ' ' SER . . . . . . . . . . . . . 4.4 m -117.34 13.17 14.49 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.791 0.663 . . . . 76.78 112.791 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 153' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -62.95 -34.43 77.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.869 -0.732 . . . . 61.18 111.638 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 154' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -113.3 39.09 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.442 0.697 . . . . 62.3 111.341 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 155' ' ' MET . . . . . . . . . . . . . 24.6 mtm -44.14 -41.34 5.6 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.472 0.709 . . . . 73.19 111.676 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 156' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -99.89 92.58 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.734 -1.58 . . . . 71.22 106.734 178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -71.44 -37.99 71.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 87.59 112.237 -164.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 158' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -84.38 -3.76 58.49 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.479 0.918 . . . . 76.5 113.479 -174.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 81.05 1.91 90.19 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 115.538 0.975 . . . . 69.41 115.538 178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 54.2 p -87.24 -16.01 36.48 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.668 1.234 . . . . 65.39 112.834 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 161' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 59.73 23.15 12.0 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.359 1.064 . . . . 57.94 112.412 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 162' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.96 -25.03 16.11 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.979 0.733 . . . . 66.59 112.979 174.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 163' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -131.27 131.79 44.12 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.046 -0.724 . . . . 117.25 109.046 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 164' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -109.72 125.46 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.02 0.528 . . . . 87.44 109.978 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 165' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.53 147.59 40.89 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.399 0.619 . . . . 96.97 110.732 171.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 166' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -94.5 175.85 6.52 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.824 0.821 . . . . 127.65 110.729 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 167' ' ' ARG . . . . . 0.674 ' HD3' ' H ' ' C' ' 168' ' ' PHE . 0.9 OUTLIER -80.08 143.17 34.21 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 118.927 -1.109 . . . . 126.31 111.213 -166.537 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 168' ' ' PHE . . . . . 0.674 ' H ' ' HD3' ' C' ' 167' ' ' ARG . 9.3 m-85 . . . . . 0 C--O 1.243 0.762 0 CA-C-N 114.915 -1.038 . . . . 114.87 108.939 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 200' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_