data_2y5m_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2y5m _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.82 -141.91 40.91 Favored Glycine 0 C--N 1.31 -0.875 0 C-N-CA 119.702 -1.237 . . . . 10.23 112.995 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.73 122.89 8.28 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 121.918 -0.754 . . . . 13.91 110.785 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.23 106.64 3.18 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.622 -0.717 . . . . 11.44 109.156 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -143.22 114.09 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-N 115.693 -0.685 . . . . 21.899999999999999 109.753 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -160.06 109.59 1.79 Allowed 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.852 -0.594 . . . . 13.17 109.903 -179.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -155.75 98.18 1.9 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.942 -1.026 . . . . 10.529999999999999 109.098 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CZ3' ' CG1' ' B' ' 7' ' ' VAL . 59.3 t-105 -157.54 95.89 1.48 Allowed 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 108.435 -0.95 . . . . 24.48 108.435 -172.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -163.89 103.98 0.9 Allowed 'General case' 0 C--O 1.257 1.486 0 N-CA-C 106.72 -1.585 . . . . 21.260000000000002 106.72 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.65 -142.3 41.91 Favored Glycine 0 CA--C 1.495 -1.215 0 O-C-N 120.976 -1.078 . . . . 10.380000000000001 112.241 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 122.2 7.99 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 120.269 -0.572 . . . . 14.31 110.572 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.87 108.64 3.5 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.903 -1.147 . . . . 11.470000000000001 107.903 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . 0.494 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 4.9 m -143.17 112.38 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.014 -0.994 . . . . 16.34 111.257 -173.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -160.48 110.51 1.78 Allowed 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.222 -0.899 . . . . 12.77 109.304 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -154.74 98.87 2.1 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.117 -0.947 . . . . 10.41 108.928 -170.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -158.05 94.2 1.3 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.391 -0.818 . . . . 24.870000000000001 109.632 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -163.0 102.03 0.99 Allowed 'General case' 0 C--O 1.25 1.117 0 N-CA-C 106.945 -1.502 . . . . 20.809999999999999 106.945 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.38 156.92 53.01 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 121.898 0.721 . . . . 11.08 113.557 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.39 136.78 25.07 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.012 -1.107 . . . . 15.66 108.012 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.65 94.1 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.194 -0.912 . . . . 12.65 108.939 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -136.87 124.24 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.918 -1.037 . . . . 16.309999999999999 108.265 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -159.22 108.12 1.87 Allowed 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.738 -0.838 . . . . 11.869999999999999 108.738 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.57 96.95 1.18 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.582 -1.266 . . . . 28.949999999999999 107.582 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -156.65 117.37 3.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.594 -0.717 . . . . 13.26 109.238 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -163.1 86.8 0.54 Allowed 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.155 -1.424 . . . . 25.460000000000001 107.155 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.81 -136.32 20.56 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.026 -1.083 . . . . 10.5 113.472 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.83 99.16 3.3 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.518 -0.473 . . . . 12.289999999999999 110.303 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.41 128.01 10.8 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.288 0.566 . . . . 14.130000000000001 110.344 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -156.26 111.23 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 109.652 -0.499 . . . . 17.690000000000001 109.652 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -155.58 108.31 2.7 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.749 -1.114 . . . . 31.920000000000002 108.293 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -158.02 118.09 3.33 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.479 -0.763 . . . . 14.42 110.224 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -152.23 86.01 1.28 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.521 -0.763 . . . . 29.129999999999999 109.735 -175.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -147.1 135.12 21.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 108.139 -1.06 . . . . 23.719999999999999 108.139 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.58 157.18 52.12 Favored Glycine 0 CA--C 1.499 -0.96 0 CA-C-O 122.138 0.855 . . . . 11.41 114.31 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.63 134.01 21.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.066 -0.716 . . . . 14.800000000000001 109.066 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.18 94.47 1.1 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.732 -0.84 . . . . 12.630000000000001 108.732 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 26.6 t -135.24 120.41 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.045 -1.094 . . . . 14.529999999999999 108.045 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -158.8 108.37 1.97 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.774 -0.825 . . . . 11.390000000000001 108.774 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.53 95.95 1.14 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.666 -1.235 . . . . 29.07 107.666 -173.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -156.79 117.58 3.66 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.433 -0.803 . . . . 13.65 108.989 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -163.01 80.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.767 -1.106 . . . . 24.82 108.055 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.59 -135.83 20.01 Favored Glycine 0 CA--C 1.495 -1.177 0 C-N-CA 119.546 -1.311 . . . . 10.57 114.038 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.64 97.64 2.94 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.824 -0.75 . . . . 11.93 110.09 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.68 129.22 12.21 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.729 -0.607 . . . . 14.119999999999999 111.317 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 p -156.49 110.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.486 -1.488 0 O-C-N 123.724 0.64 . . . . 17.43 110.184 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -155.81 109.16 2.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.849 -1.167 . . . . 29.43 107.849 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -156.79 118.22 3.78 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.047 -1.033 . . . . 13.82 109.212 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -150.87 84.77 1.34 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.504 -0.771 . . . . 28.18 110.767 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -148.14 100.65 3.19 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 118.434 -0.794 . . . . 22.98 108.935 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1003 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.82 -141.91 40.91 Favored Glycine 0 C--N 1.31 -0.875 0 C-N-CA 119.702 -1.237 . . . . 10.23 112.995 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.73 122.89 8.28 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 121.918 -0.754 . . . . 13.91 110.785 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.23 106.64 3.18 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.622 -0.717 . . . . 11.44 109.156 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -143.22 114.09 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-N 115.693 -0.685 . . . . 21.899999999999999 109.753 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -160.06 109.59 1.79 Allowed 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.852 -0.594 . . . . 13.17 109.903 -179.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -155.75 98.18 1.9 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.942 -1.026 . . . . 10.529999999999999 109.098 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . 0.885 ' CZ3' HG13 ' B' ' 7' ' ' VAL . 59.3 t-105 -157.54 95.89 1.48 Allowed 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 108.435 -0.95 . . . . 24.48 108.435 -172.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -163.89 103.98 0.9 Allowed 'General case' 0 C--O 1.257 1.486 0 N-CA-C 106.72 -1.585 . . . . 21.260000000000002 106.72 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ETA . . . . . 0.411 ' O ' ' H17' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.65 -142.3 41.91 Favored Glycine 0 CA--C 1.495 -1.215 0 O-C-N 120.976 -1.078 . . . . 10.380000000000001 112.241 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 122.2 7.99 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 120.269 -0.572 . . . . 14.31 110.572 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' DLE . . . . . 0.416 HD22 ' H25' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.87 108.64 3.5 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.903 -1.147 . . . . 11.470000000000001 107.903 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . 0.885 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 4.9 m -143.17 112.38 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.014 -0.994 . . . . 18.370000000000001 111.257 -173.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -160.48 110.51 1.78 Allowed 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.222 -0.899 . . . . 12.77 109.304 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -154.74 98.87 2.1 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.117 -0.947 . . . . 10.41 108.928 -170.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -158.05 94.2 1.3 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.391 -0.818 . . . . 24.870000000000001 109.632 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -163.0 102.03 0.99 Allowed 'General case' 0 C--O 1.25 1.117 0 N-CA-C 106.945 -1.502 . . . . 20.809999999999999 106.945 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.38 156.92 53.01 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 121.898 0.721 . . . . 11.08 113.557 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.39 136.78 25.07 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.012 -1.107 . . . . 15.66 108.012 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.65 94.1 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.194 -0.912 . . . . 12.65 108.939 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -136.87 124.24 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.918 -1.037 . . . . 16.309999999999999 108.265 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -159.22 108.12 1.87 Allowed 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.738 -0.838 . . . . 11.869999999999999 108.738 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.57 96.95 1.18 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.582 -1.266 . . . . 28.949999999999999 107.582 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -156.65 117.37 3.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.594 -0.717 . . . . 13.26 109.238 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -163.1 86.8 0.54 Allowed 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.155 -1.424 . . . . 25.460000000000001 107.155 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.81 -136.32 20.56 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.026 -1.083 . . . . 10.5 113.472 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.83 99.16 3.3 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.518 -0.473 . . . . 12.289999999999999 110.303 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.41 128.01 10.8 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.288 0.566 . . . . 14.130000000000001 110.344 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -156.26 111.23 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 109.652 -0.499 . . . . 17.690000000000001 109.652 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -155.58 108.31 2.7 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.749 -1.114 . . . . 31.920000000000002 108.293 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -158.02 118.09 3.33 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.479 -0.763 . . . . 14.42 110.224 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -152.23 86.01 1.28 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.521 -0.763 . . . . 29.129999999999999 109.735 -175.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -147.1 135.12 21.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 108.139 -1.06 . . . . 23.719999999999999 108.139 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.58 157.18 52.12 Favored Glycine 0 CA--C 1.499 -0.96 0 CA-C-O 122.138 0.855 . . . . 11.41 114.31 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.63 134.01 21.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.066 -0.716 . . . . 14.800000000000001 109.066 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.18 94.47 1.1 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.732 -0.84 . . . . 12.630000000000001 108.732 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' E' ' 7' ' ' VAL . 26.6 t -135.24 120.41 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.045 -1.094 . . . . 17.59 108.045 178.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -158.8 108.37 1.97 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.774 -0.825 . . . . 11.390000000000001 108.774 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.53 95.95 1.14 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.666 -1.235 . . . . 29.07 107.666 -173.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -156.79 117.58 3.66 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.433 -0.803 . . . . 13.65 108.989 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -163.01 80.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.767 -1.106 . . . . 24.82 108.055 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.59 -135.83 20.01 Favored Glycine 0 CA--C 1.495 -1.177 0 C-N-CA 119.546 -1.311 . . . . 10.57 114.038 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.64 97.64 2.94 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.824 -0.75 . . . . 11.93 110.09 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.68 129.22 12.21 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.729 -0.607 . . . . 14.119999999999999 111.317 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 p -156.49 110.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.486 -1.488 0 O-C-N 123.724 0.64 . . . . 17.43 110.184 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -155.81 109.16 2.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.849 -1.167 . . . . 29.43 107.849 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -156.79 118.22 3.78 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.047 -1.033 . . . . 13.82 109.212 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -150.87 84.77 1.34 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.504 -0.771 . . . . 28.18 110.767 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -148.14 100.65 3.19 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 118.434 -0.794 . . . . 22.98 108.935 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' 15P . . . . . 0.466 ' H15' ' H17' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1003 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.82 -141.91 40.91 Favored Glycine 0 C--N 1.31 -0.875 0 C-N-CA 119.702 -1.237 . . . . 10.23 112.995 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.73 122.89 8.28 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 121.918 -0.754 . . . . 13.91 110.785 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.23 106.64 3.18 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.622 -0.717 . . . . 11.44 109.156 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -143.22 114.09 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-N 115.693 -0.685 . . . . 21.899999999999999 109.753 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -160.06 109.59 1.79 Allowed 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.852 -0.594 . . . . 13.17 109.903 -179.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -155.75 98.18 1.9 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.942 -1.026 . . . . 10.529999999999999 109.098 -170.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.885 ' CZ3' HG13 ' B' ' 7' ' ' VAL . 59.3 t-105 -157.54 95.89 1.48 Allowed 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 108.435 -0.95 . . . . 24.48 108.435 -172.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -163.89 103.98 0.9 Allowed 'General case' 0 C--O 1.257 1.486 0 N-CA-C 106.72 -1.585 . . . . 21.260000000000002 106.72 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ETA . . . . . 0.411 ' O ' ' H17' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.65 -142.3 41.91 Favored Glycine 0 CA--C 1.495 -1.215 0 O-C-N 120.976 -1.078 . . . . 10.380000000000001 112.241 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 122.2 7.99 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 120.269 -0.572 . . . . 14.31 110.572 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' DLE . . . . . 0.416 HD22 ' H25' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.87 108.64 3.5 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.903 -1.147 . . . . 11.470000000000001 107.903 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.885 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 4.9 m -143.17 112.38 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.014 -0.994 . . . . 18.370000000000001 111.257 -173.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -160.48 110.51 1.78 Allowed 'General case' 0 C--O 1.25 1.082 0 CA-C-N 115.222 -0.899 . . . . 12.77 109.304 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -154.74 98.87 2.1 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.117 -0.947 . . . . 10.41 108.928 -170.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -158.05 94.2 1.3 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.391 -0.818 . . . . 24.870000000000001 109.632 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -163.0 102.03 0.99 Allowed 'General case' 0 C--O 1.25 1.117 0 N-CA-C 106.945 -1.502 . . . . 20.809999999999999 106.945 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.38 156.92 53.01 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-O 121.898 0.721 . . . . 11.08 113.557 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.39 136.78 25.07 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.012 -1.107 . . . . 15.66 108.012 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.65 94.1 1.13 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.194 -0.912 . . . . 12.65 108.939 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -136.87 124.24 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 CA-C-N 114.918 -1.037 . . . . 16.309999999999999 108.265 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -159.22 108.12 1.87 Allowed 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.738 -0.838 . . . . 11.869999999999999 108.738 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.57 96.95 1.18 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 107.582 -1.266 . . . . 28.949999999999999 107.582 -173.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -156.65 117.37 3.68 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.594 -0.717 . . . . 13.26 109.238 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -163.1 86.8 0.54 Allowed 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.155 -1.424 . . . . 25.460000000000001 107.155 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.81 -136.32 20.56 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.026 -1.083 . . . . 10.5 113.472 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.83 99.16 3.3 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.518 -0.473 . . . . 12.289999999999999 110.303 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.41 128.01 10.8 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.288 0.566 . . . . 14.130000000000001 110.344 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -156.26 111.23 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 109.652 -0.499 . . . . 17.690000000000001 109.652 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -155.58 108.31 2.7 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 114.749 -1.114 . . . . 31.920000000000002 108.293 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -158.02 118.09 3.33 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.479 -0.763 . . . . 14.42 110.224 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -152.23 86.01 1.28 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.521 -0.763 . . . . 29.129999999999999 109.735 -175.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -147.1 135.12 21.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 108.139 -1.06 . . . . 23.719999999999999 108.139 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.58 157.18 52.12 Favored Glycine 0 CA--C 1.499 -0.96 0 CA-C-O 122.138 0.855 . . . . 11.41 114.31 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.63 134.01 21.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.066 -0.716 . . . . 14.800000000000001 109.066 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.18 94.47 1.1 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.732 -0.84 . . . . 12.630000000000001 108.732 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' E' ' 7' ' ' VAL . 26.6 t -135.24 120.41 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.045 -1.094 . . . . 17.59 108.045 178.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -158.8 108.37 1.97 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 108.774 -0.825 . . . . 11.390000000000001 108.774 -179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -160.53 95.95 1.14 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 107.666 -1.235 . . . . 29.07 107.666 -173.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -156.79 117.58 3.66 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.433 -0.803 . . . . 13.65 108.989 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -163.01 80.25 0.47 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.767 -1.106 . . . . 24.82 108.055 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.59 -135.83 20.01 Favored Glycine 0 CA--C 1.495 -1.177 0 C-N-CA 119.546 -1.311 . . . . 10.57 114.038 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.64 97.64 2.94 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 119.824 -0.75 . . . . 11.93 110.09 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.68 129.22 12.21 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.729 -0.607 . . . . 14.119999999999999 111.317 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 p -156.49 110.27 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.486 -1.488 0 O-C-N 123.724 0.64 . . . . 17.43 110.184 -177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -155.81 109.16 2.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.849 -1.167 . . . . 29.43 107.849 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -156.79 118.22 3.78 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.047 -1.033 . . . . 13.82 109.212 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -150.87 84.77 1.34 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.504 -0.771 . . . . 28.18 110.767 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -148.14 100.65 3.19 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 118.434 -0.794 . . . . 22.98 108.935 -177.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' 15P . . . . . 0.466 ' H15' ' H17' ' A' 1002 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_