data_2y6n_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 2y6n _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 . . . . . . . . . . . . . . . 67.76 -142.28 39.89 Favored Glycine 0 CA--C 1.495 -1.217 0 CA-C-O 123.087 1.382 . . . . 11.300000000000001 111.268 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 124.7 9.18 Favored 'General case' 0 C--N 1.365 1.254 0 O-C-N 121.262 -1.14 . . . . 15.869999999999999 110.537 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.48 106.56 3.29 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 108.316 -0.994 . . . . 12.84 108.316 -177.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.81 112.83 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.827 -1.079 . . . . 23.390000000000001 110.521 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -158.23 109.1 2.16 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-O 118.658 -0.686 . . . . 14.970000000000001 109.64 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -155.36 100.6 2.15 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 108.561 -0.903 . . . . 12.08 108.561 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . 0.589 ' CZ3' ' CG1' ' B' ' 7' ' ' VAL . 65.4 t-105 -157.91 98.16 1.6 Allowed 'General case' 0 C--N 1.361 1.084 0 N-CA-C 107.7 -1.222 . . . . 25.84 107.7 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.0 t-105 -160.38 107.17 1.55 Allowed 'General case' 0 C--O 1.285 2.935 0 N-CA-C 106.496 -1.668 . . . . 20.649999999999999 106.496 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ETA . . . . . 0.408 ' O ' ' C7 ' ' A' 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 -143.26 42.81 Favored Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.352 -1.404 . . . . 11.220000000000001 111.229 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.43 125.23 9.08 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.48 -1.012 . . . . 16.359999999999999 110.05 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.18 108.02 3.36 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 108.028 -1.101 . . . . 12.539999999999999 108.028 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CZ3' ' A' ' 13' ' ' TRP . 5.6 m -143.58 112.16 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.267 -0.879 . . . . 16.23 110.067 -174.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -159.14 109.13 1.95 Allowed 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.346 -0.843 . . . . 14.890000000000001 110.738 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -154.91 98.87 2.08 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-N 114.668 -1.151 . . . . 12.039999999999999 109.539 -172.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -157.6 97.01 1.56 Allowed 'General case' 0 C--O 1.254 1.327 0 C-N-CA 119.155 -1.018 . . . . 25.27 108.639 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -161.37 103.88 1.25 Allowed 'General case' 0 C--O 1.281 2.754 0 N-CA-C 106.812 -1.551 . . . . 22.489999999999998 106.812 -175.648 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.79 157.77 53.46 Favored Glycine 0 C--N 1.315 -0.615 0 CA-C-O 122.373 0.985 . . . . 12.57 112.754 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.74 136.88 26.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 114.584 -0.808 . . . . 16.600000000000001 108.873 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' DLE . . . . . 0.656 ' CD2' ' CD1' ' D' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.28 94.08 1.27 Allowed 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.615 -1.254 . . . . 13.800000000000001 107.615 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 83.5 t -136.01 120.75 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.98 -1.119 . . . . 20.27 107.98 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -160.53 108.2 1.59 Allowed 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.022 -0.99 . . . . 12.06 109.429 -179.515 . . . . . . . . 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 -159.9 98.5 1.34 Allowed 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.437 -1.32 . . . . 31.739999999999998 107.437 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -157.62 119.23 3.66 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.181 -1.044 . . . . 14.800000000000001 108.181 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -162.4 88.05 0.64 Allowed 'General case' 0 C--O 1.242 0.708 0 CA-C-N 113.077 -1.874 . . . . 25.050000000000001 106.825 -176.728 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.17 -134.8 16.42 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.621 -1.299 . . . . 11.5 113.567 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 98.67 3.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.882 -0.727 . . . . 12.92 109.187 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 126.79 8.95 Favored 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 121.531 -0.731 . . . . 14.609999999999999 110.529 -173.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -157.36 111.37 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.502 0 CA-C-N 116.231 -0.441 . . . . 19.16 110.392 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -154.83 109.2 2.97 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 113.631 -1.622 . . . . 33.280000000000001 107.573 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -157.63 116.32 3.2 Favored 'General case' 0 C--O 1.255 1.353 0 O-C-N 121.448 -0.782 . . . . 15.0 109.004 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' DLE . . . . . 0.656 ' CD1' ' CD2' ' C' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -152.44 87.54 1.32 Allowed 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.927 -1.488 . . . . 29.359999999999999 108.586 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -148.13 130.71 15.86 Favored 'General case' 0 N--CA 1.415 -2.187 0 CA-C-O 116.818 -1.563 . . . . 23.140000000000001 109.256 -178.265 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.75 156.34 53.43 Favored Glycine 0 C--N 1.307 -1.071 0 CA-C-O 122.656 1.142 . . . . 12.23 112.91 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.48 137.66 27.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.842 -0.679 . . . . 15.85 109.265 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' DLE . . . . . 0.687 ' CD2' ' CD2' ' F' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.13 95.22 1.36 Allowed 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 108.428 -0.953 . . . . 13.970000000000001 108.428 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 58.2 t -135.89 121.67 29.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 108.779 -0.823 . . . . 19.25 108.779 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -158.81 109.15 2.03 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.335 -1.302 . . . . 12.42 109.455 177.543 . . . . . . . . 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 -158.27 98.66 1.58 Allowed 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.898 -1.149 . . . . 31.219999999999999 107.898 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -159.23 118.67 2.99 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 108.307 -0.997 . . . . 14.42 108.307 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -163.57 80.45 0.44 Allowed 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 114.445 -1.252 . . . . 24.719999999999999 108.251 -175.537 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.75 -134.94 15.98 Favored Glycine 0 C--N 1.296 -1.656 0 O-C-N 120.325 -1.484 . . . . 11.32 112.439 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.25 97.51 2.95 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.472 -0.566 . . . . 12.890000000000001 109.472 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.53 127.27 10.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.841 -0.743 . . . . 14.640000000000001 109.671 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -156.94 111.47 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.269 2.083 0 CA-C-N 115.248 -0.887 . . . . 18.390000000000001 110.169 -178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -155.26 108.62 2.8 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.431 -1.713 . . . . 32.990000000000002 108.285 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -157.51 117.35 3.38 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 120.958 -1.089 . . . . 15.0 109.561 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' DLE . . . . . 0.687 ' CD2' ' CD2' ' E' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -152.42 89.28 1.41 Allowed 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.437 -1.256 . . . . 30.420000000000002 109.295 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -148.63 98.37 2.87 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 117.123 -1.418 . . . . 24.52 109.22 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' 15P . . . . . 0.408 ' C7 ' ' O ' ' A' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1018 ' ' P4C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . . . . . . . . . . . 67.76 -142.28 39.89 Favored Glycine 0 CA--C 1.495 -1.217 0 CA-C-O 123.087 1.382 . . . . 11.300000000000001 111.268 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 124.7 9.18 Favored 'General case' 0 C--N 1.365 1.254 0 O-C-N 121.262 -1.14 . . . . 15.869999999999999 110.537 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.48 106.56 3.29 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 108.316 -0.994 . . . . 12.84 108.316 -177.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.81 112.83 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.827 -1.079 . . . . 23.390000000000001 110.521 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -158.23 109.1 2.16 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-O 118.658 -0.686 . . . . 14.970000000000001 109.64 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -155.36 100.6 2.15 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 108.561 -0.903 . . . . 12.08 108.561 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . 0.964 ' CZ3' HG13 ' B' ' 7' ' ' VAL . 65.4 t-105 -157.91 98.16 1.6 Allowed 'General case' 0 C--N 1.361 1.084 0 N-CA-C 107.7 -1.222 . . . . 25.84 107.7 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.0 t-105 -160.38 107.17 1.55 Allowed 'General case' 0 C--O 1.285 2.935 0 N-CA-C 106.496 -1.668 . . . . 20.649999999999999 106.496 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ETA . . . . . 0.64 ' O ' ' H17' ' A' 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 -143.26 42.81 Favored Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.352 -1.404 . . . . 11.220000000000001 111.229 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . 0.404 ' HA ' ' HB1' ' A' ' 16' ' ' ETA . . . -151.43 125.23 9.08 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.48 -1.012 . . . . 16.359999999999999 110.05 -179.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.18 108.02 3.36 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 108.028 -1.101 . . . . 12.539999999999999 108.028 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . 0.964 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.6 m -143.58 112.16 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.267 -0.879 . . . . 18.870000000000001 110.067 -174.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -159.14 109.13 1.95 Allowed 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.346 -0.843 . . . . 14.890000000000001 110.738 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -154.91 98.87 2.08 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-N 114.668 -1.151 . . . . 12.039999999999999 109.539 -172.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -157.6 97.01 1.56 Allowed 'General case' 0 C--O 1.254 1.327 0 C-N-CA 119.155 -1.018 . . . . 25.27 108.639 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -161.37 103.88 1.25 Allowed 'General case' 0 C--O 1.281 2.754 0 N-CA-C 106.812 -1.551 . . . . 22.489999999999998 106.812 -175.648 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.79 157.77 53.46 Favored Glycine 0 C--N 1.315 -0.615 0 CA-C-O 122.373 0.985 . . . . 12.57 112.754 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.74 136.88 26.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 114.584 -0.808 . . . . 16.600000000000001 108.873 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' DLE . . . . . 1.041 HD23 ' CD1' ' D' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.28 94.08 1.27 Allowed 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.615 -1.254 . . . . 13.800000000000001 107.615 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 83.5 t -136.01 120.75 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.98 -1.119 . . . . 20.27 107.98 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -160.53 108.2 1.59 Allowed 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.022 -0.99 . . . . 12.06 109.429 -179.515 . . . . . . . . 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 -159.9 98.5 1.34 Allowed 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.437 -1.32 . . . . 31.739999999999998 107.437 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -157.62 119.23 3.66 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.181 -1.044 . . . . 14.800000000000001 108.181 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -162.4 88.05 0.64 Allowed 'General case' 0 C--O 1.242 0.708 0 CA-C-N 113.077 -1.874 . . . . 25.050000000000001 106.825 -176.728 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.17 -134.8 16.42 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.621 -1.299 . . . . 11.5 113.567 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 98.67 3.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.882 -0.727 . . . . 12.92 109.187 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 126.79 8.95 Favored 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 121.531 -0.731 . . . . 14.609999999999999 110.529 -173.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -157.36 111.37 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.502 0 CA-C-N 116.231 -0.441 . . . . 19.16 110.392 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -154.83 109.2 2.97 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 113.631 -1.622 . . . . 33.280000000000001 107.573 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -157.63 116.32 3.2 Favored 'General case' 0 C--O 1.255 1.353 0 O-C-N 121.448 -0.782 . . . . 15.0 109.004 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' DLE . . . . . 1.041 ' CD1' HD23 ' C' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -152.44 87.54 1.32 Allowed 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.927 -1.488 . . . . 29.359999999999999 108.586 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -148.13 130.71 15.86 Favored 'General case' 0 N--CA 1.415 -2.187 0 CA-C-O 116.818 -1.563 . . . . 23.140000000000001 109.256 -178.265 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.75 156.34 53.43 Favored Glycine 0 C--N 1.307 -1.071 0 CA-C-O 122.656 1.142 . . . . 12.23 112.91 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.48 137.66 27.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.842 -0.679 . . . . 15.85 109.265 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' DLE . . . . . 1.047 HD23 ' CD2' ' F' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.13 95.22 1.36 Allowed 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 108.428 -0.953 . . . . 13.970000000000001 108.428 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 58.2 t -135.89 121.67 29.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 108.779 -0.823 . . . . 19.25 108.779 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' DVA . . . . . 0.423 HG22 ' O ' ' F' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -158.81 109.15 2.03 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.335 -1.302 . . . . 12.42 109.455 177.543 . . . . . . . . 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 -158.27 98.66 1.58 Allowed 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.898 -1.149 . . . . 31.219999999999999 107.898 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -159.23 118.67 2.99 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 108.307 -0.997 . . . . 14.42 108.307 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -163.57 80.45 0.44 Allowed 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 114.445 -1.252 . . . . 24.719999999999999 108.251 -175.537 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.75 -134.94 15.98 Favored Glycine 0 C--N 1.296 -1.656 0 O-C-N 120.325 -1.484 . . . . 11.32 112.439 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.25 97.51 2.95 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.472 -0.566 . . . . 12.890000000000001 109.472 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.53 127.27 10.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.841 -0.743 . . . . 14.640000000000001 109.671 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -156.94 111.47 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.269 2.083 0 CA-C-N 115.248 -0.887 . . . . 18.390000000000001 110.169 -178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -155.26 108.62 2.8 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.431 -1.713 . . . . 32.990000000000002 108.285 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -157.51 117.35 3.38 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 120.958 -1.089 . . . . 15.0 109.561 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' DLE . . . . . 1.047 ' CD2' HD23 ' E' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -152.42 89.28 1.41 Allowed 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.437 -1.256 . . . . 30.420000000000002 109.295 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -148.63 98.37 2.87 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 117.123 -1.418 . . . . 24.52 109.22 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' 15P . . . . . 0.64 ' H17' ' O ' ' A' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1018 ' ' P4C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . . . . . . . . . . . 67.76 -142.28 39.89 Favored Glycine 0 CA--C 1.495 -1.217 0 CA-C-O 123.087 1.382 . . . . 11.300000000000001 111.268 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 124.7 9.18 Favored 'General case' 0 C--N 1.365 1.254 0 O-C-N 121.262 -1.14 . . . . 15.869999999999999 110.537 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.48 106.56 3.29 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 108.316 -0.994 . . . . 12.84 108.316 -177.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.81 112.83 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.827 -1.079 . . . . 23.390000000000001 110.521 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -158.23 109.1 2.16 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-O 118.658 -0.686 . . . . 14.970000000000001 109.64 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -155.36 100.6 2.15 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 108.561 -0.903 . . . . 12.08 108.561 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.964 ' CZ3' HG13 ' B' ' 7' ' ' VAL . 65.4 t-105 -157.91 98.16 1.6 Allowed 'General case' 0 C--N 1.361 1.084 0 N-CA-C 107.7 -1.222 . . . . 25.84 107.7 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.0 t-105 -160.38 107.17 1.55 Allowed 'General case' 0 C--O 1.285 2.935 0 N-CA-C 106.496 -1.668 . . . . 20.649999999999999 106.496 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ETA . . . . . 0.64 ' O ' ' H17' ' A' 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 -143.26 42.81 Favored Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.352 -1.404 . . . . 11.220000000000001 111.229 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.404 ' HA ' ' HB1' ' A' ' 16' ' ' ETA . . . -151.43 125.23 9.08 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.48 -1.012 . . . . 16.359999999999999 110.05 -179.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.18 108.02 3.36 Favored 'General case' 0 C--O 1.27 2.155 0 N-CA-C 108.028 -1.101 . . . . 12.539999999999999 108.028 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.964 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.6 m -143.58 112.16 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.267 -0.879 . . . . 18.870000000000001 110.067 -174.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -159.14 109.13 1.95 Allowed 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.346 -0.843 . . . . 14.890000000000001 110.738 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -154.91 98.87 2.08 Favored 'General case' 0 C--O 1.259 1.596 0 CA-C-N 114.668 -1.151 . . . . 12.039999999999999 109.539 -172.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -157.6 97.01 1.56 Allowed 'General case' 0 C--O 1.254 1.327 0 C-N-CA 119.155 -1.018 . . . . 25.27 108.639 -174.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -161.37 103.88 1.25 Allowed 'General case' 0 C--O 1.281 2.754 0 N-CA-C 106.812 -1.551 . . . . 22.489999999999998 106.812 -175.648 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.79 157.77 53.46 Favored Glycine 0 C--N 1.315 -0.615 0 CA-C-O 122.373 0.985 . . . . 12.57 112.754 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.74 136.88 26.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 114.584 -0.808 . . . . 16.600000000000001 108.873 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' DLE . . . . . 1.041 HD23 ' CD1' ' D' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.28 94.08 1.27 Allowed 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.615 -1.254 . . . . 13.800000000000001 107.615 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 83.5 t -136.01 120.75 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.98 -1.119 . . . . 20.27 107.98 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -160.53 108.2 1.59 Allowed 'General case' 0 C--O 1.256 1.407 0 CA-C-N 115.022 -0.99 . . . . 12.06 109.429 -179.515 . . . . . . . . 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 -159.9 98.5 1.34 Allowed 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.437 -1.32 . . . . 31.739999999999998 107.437 -174.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -157.62 119.23 3.66 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.181 -1.044 . . . . 14.800000000000001 108.181 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -162.4 88.05 0.64 Allowed 'General case' 0 C--O 1.242 0.708 0 CA-C-N 113.077 -1.874 . . . . 25.050000000000001 106.825 -176.728 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.17 -134.8 16.42 Favored Glycine 0 C--N 1.298 -1.578 0 O-C-N 120.621 -1.299 . . . . 11.5 113.567 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 98.67 3.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.882 -0.727 . . . . 12.92 109.187 -174.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 126.79 8.95 Favored 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 121.531 -0.731 . . . . 14.609999999999999 110.529 -173.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -157.36 111.37 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.502 0 CA-C-N 116.231 -0.441 . . . . 19.16 110.392 179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -154.83 109.2 2.97 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 113.631 -1.622 . . . . 33.280000000000001 107.573 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -157.63 116.32 3.2 Favored 'General case' 0 C--O 1.255 1.353 0 O-C-N 121.448 -0.782 . . . . 15.0 109.004 178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' DLE . . . . . 1.041 ' CD1' HD23 ' C' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -152.44 87.54 1.32 Allowed 'General case' 0 C--O 1.254 1.334 0 CA-C-N 113.927 -1.488 . . . . 29.359999999999999 108.586 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -148.13 130.71 15.86 Favored 'General case' 0 N--CA 1.415 -2.187 0 CA-C-O 116.818 -1.563 . . . . 23.140000000000001 109.256 -178.265 . . . . . . . . 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 . . . . . . . . . . . . . . . -69.75 156.34 53.43 Favored Glycine 0 C--N 1.307 -1.071 0 CA-C-O 122.656 1.142 . . . . 12.23 112.91 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.48 137.66 27.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.842 -0.679 . . . . 15.85 109.265 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' DLE . . . . . 1.047 HD23 ' CD2' ' F' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.13 95.22 1.36 Allowed 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 108.428 -0.953 . . . . 13.970000000000001 108.428 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 58.2 t -135.89 121.67 29.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 N-CA-C 108.779 -0.823 . . . . 19.25 108.779 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' DVA . . . . . 0.423 HG22 ' O ' ' F' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -158.81 109.15 2.03 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.335 -1.302 . . . . 12.42 109.455 177.543 . . . . . . . . 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 -158.27 98.66 1.58 Allowed 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.898 -1.149 . . . . 31.219999999999999 107.898 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -159.23 118.67 2.99 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 108.307 -0.997 . . . . 14.42 108.307 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -163.57 80.45 0.44 Allowed 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 114.445 -1.252 . . . . 24.719999999999999 108.251 -175.537 . . . . . . . . 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 . . . . . . . . . . . . . . . 76.75 -134.94 15.98 Favored Glycine 0 C--N 1.296 -1.656 0 O-C-N 120.325 -1.484 . . . . 11.32 112.439 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.25 97.51 2.95 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 109.472 -0.566 . . . . 12.890000000000001 109.472 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.53 127.27 10.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 119.841 -0.743 . . . . 14.640000000000001 109.671 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -156.94 111.47 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.269 2.083 0 CA-C-N 115.248 -0.887 . . . . 18.390000000000001 110.169 -178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -155.26 108.62 2.8 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.431 -1.713 . . . . 32.990000000000002 108.285 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -157.51 117.35 3.38 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 120.958 -1.089 . . . . 15.0 109.561 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' DLE . . . . . 1.047 ' CD2' HD23 ' E' ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -152.42 89.28 1.41 Allowed 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.437 -1.256 . . . . 30.420000000000002 109.295 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -148.63 98.37 2.87 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 117.123 -1.418 . . . . 24.52 109.22 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' 15P . . . . . 0.64 ' H17' ' O ' ' A' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' P4C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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_