data_6mpn_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mpn _Structure_validation_residue.Date_analyzed 2019-01-25 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 ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 21.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.65 -36.13 49.47 Favored 'Trans proline' 0 CA--C 1.532 0.404 1 C-N-CA 125.589 4.193 . . . . 38.39 113.616 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.13 -32.86 72.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.781 0.719 . . . . 25.07 110.573 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.12 -42.73 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 N-CA-C 108.956 -0.757 . . . . 26.86 108.956 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.28 -45.31 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.858 -0.61 . . . . 21.43 109.635 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.19 90.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.735 -0.603 . . . . 17.34 109.807 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.93 82.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.654 0.74 . . . . 17.64 111.182 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -67.05 -41.13 87.03 Favored 'General case' 0 C--O 1.25 1.094 0 O-C-N 121.792 -0.568 . . . . 17.39 110.986 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.98 -45.04 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.765 -0.585 . . . . 20.07 110.25 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.9 mt -58.82 -45.15 91.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.458 -0.497 . . . . 19.35 110.302 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.37 86.16 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.05 0.452 . . . . 16.6 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 74.8 mt -71.59 -36.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-O 119.197 -0.43 . . . . 21.11 110.937 -176.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 mt -59.22 -41.74 89.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.029 0.831 . . . . 18.98 110.236 174.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HIS . . . . . 0.476 ' NE2' H4'1 ' B' ' 101' ' ' BOG . 50.7 m170 -59.04 -43.57 91.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.393 0.616 . . . . 63.24 110.273 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.42 -44.65 94.01 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.736 -0.603 . . . . 20.16 111.152 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.22 -47.23 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.032 -0.531 . . . . 18.05 110.898 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.76 -37.64 85.02 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.139 0.495 . . . . 24.49 111.711 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CH2' ' HD2' ' B' ' 45' ' ' ARG . 80.6 t90 -65.32 -42.52 92.91 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.542 -0.463 . . . . 86.73 109.857 178.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.43 -41.8 93.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.743 -0.783 . . . . 70.35 112.278 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.13 -40.23 89.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.613 -0.835 . . . . 23.79 112.115 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.59 -39.01 92.37 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.972 -0.558 . . . . 37.7 109.815 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . 0.425 ' HD2' ' CH2' ' B' ' 41' ' ' TRP . 75.6 mtp85 -64.47 -36.98 85.95 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.26 -0.576 . . . . 71.66 112.118 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.41 -24.7 54.04 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.298 0.481 . . . . 44.82 112.298 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.689 -0.232 . . . . 35.24 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 18.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 -37.79 79.75 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.044 1.829 . . . . 38.32 114.16 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.8 -24.54 48.79 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.019 -1.073 . . . . 30.26 112.902 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.55 -41.57 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 C-N-CA 120.577 -0.449 . . . . 25.27 109.93 169.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.2 -45.09 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 121.495 -0.753 . . . . 22.34 110.436 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.03 81.73 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.86 -0.525 . . . . 16.66 109.808 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.35 78.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.834 -0.346 . . . . 16.43 110.711 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 m -67.14 -40.82 86.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.953 0.406 . . . . 15.5 111.026 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.99 -42.07 94.51 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 N-CA-C 109.384 -0.599 . . . . 17.84 109.384 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.89 -40.58 89.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 O-C-N 122.337 -0.227 . . . . 22.6 111.213 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.98 96.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.332 0.587 . . . . 14.52 109.893 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.34 -39.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.524 -0.735 . . . . 18.3 111.104 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.3 mt -58.13 -42.01 84.89 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.803 -0.759 . . . . 17.45 110.271 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -57.65 -44.49 85.67 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.093 0.406 . . . . 66.3 111.763 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.15 -42.4 99.22 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.177 0.513 . . . . 16.94 111.616 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.0 -46.6 96.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-O 120.885 0.374 . . . . 16.28 110.556 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.84 -37.89 89.13 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.005 -1.078 . . . . 20.21 112.003 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -62.35 -45.81 91.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.923 -0.399 . . . . 89.62 109.923 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.54 -37.58 85.31 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 119.628 -0.829 . . . . 31.84 112.256 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.05 -40.52 97.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.671 0.748 . . . . 22.59 111.544 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.44 -37.43 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.708 -0.797 . . . . 44.12 110.314 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -66.93 -32.29 73.44 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 120.463 0.173 . . . . 68.42 111.4 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.1 -23.62 38.29 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.615 -0.678 . . . . 38.34 112.271 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 31.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' BOG . . . . . 0.476 H4'1 ' NE2' ' B' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 21.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.65 -36.13 49.47 Favored 'Trans proline' 0 CA--C 1.532 0.404 1 C-N-CA 125.589 4.193 . . . . 31.96 113.616 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.13 -32.86 72.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.781 0.719 . . . . 20.86 110.573 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.12 -42.73 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 N-CA-C 108.956 -0.757 . . . . 22.35 108.956 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.28 -45.31 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.858 -0.61 . . . . 17.82 109.635 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.19 90.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.735 -0.603 . . . . 14.42 109.807 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.93 82.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.654 0.74 . . . . 14.66 111.182 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -67.05 -41.13 87.03 Favored 'General case' 0 C--O 1.25 1.094 0 O-C-N 121.792 -0.568 . . . . 14.46 110.986 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.98 -45.04 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.765 -0.585 . . . . 16.69 110.25 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . 0.444 HG23 H6'1 ' B' ' 101' ' ' BOG . 82.9 mt -58.82 -45.15 91.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.458 -0.497 . . . . 16.09 110.302 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.37 86.16 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.05 0.452 . . . . 14.41 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 74.8 mt -71.59 -36.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-O 119.197 -0.43 . . . . 17.55 110.937 -176.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 mt -59.22 -41.74 89.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.029 0.831 . . . . 15.79 110.236 174.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HIS . . . . . 0.481 ' NE2' H4'1 ' B' ' 101' ' ' BOG . 50.7 m170 -59.04 -43.57 91.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.393 0.616 . . . . 52.67 110.273 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.42 -44.65 94.01 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.736 -0.603 . . . . 26.53 111.152 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.22 -47.23 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.032 -0.531 . . . . 15.01 110.898 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.76 -37.64 85.02 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.139 0.495 . . . . 20.37 111.711 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . 0.429 ' CH2' ' HD2' ' B' ' 45' ' ' ARG . 80.6 t90 -65.32 -42.52 92.91 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.542 -0.463 . . . . 72.24 109.857 178.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.43 -41.8 93.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.743 -0.783 . . . . 70.35 112.278 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.13 -40.23 89.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.613 -0.835 . . . . 20.01 112.115 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.59 -39.01 92.37 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.972 -0.558 . . . . 37.7 109.815 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . 0.429 ' HD2' ' CH2' ' B' ' 41' ' ' TRP . 75.6 mtp85 -64.47 -36.98 85.95 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.26 -0.576 . . . . 59.68 112.118 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.41 -24.7 54.04 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.298 0.481 . . . . 41.25 112.298 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.689 -0.232 . . . . 29.33 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 18.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 -37.79 79.75 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.044 1.829 . . . . 31.9 114.16 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.8 -24.54 48.79 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.019 -1.073 . . . . 25.18 112.902 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.55 -41.57 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 C-N-CA 120.577 -0.449 . . . . 21.02 109.93 169.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.2 -45.09 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 121.495 -0.753 . . . . 18.58 110.436 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.03 81.73 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.86 -0.525 . . . . 13.85 109.808 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.35 78.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.834 -0.346 . . . . 13.66 110.711 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 m -67.14 -40.82 86.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.953 0.406 . . . . 21.9 111.026 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.99 -42.07 94.51 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 N-CA-C 109.384 -0.599 . . . . 14.83 109.384 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.89 -40.58 89.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 O-C-N 122.337 -0.227 . . . . 18.8 111.213 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.98 96.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.332 0.587 . . . . 13.44 109.893 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.34 -39.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.524 -0.735 . . . . 15.21 111.104 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.3 mt -58.13 -42.01 84.89 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.803 -0.759 . . . . 14.51 110.271 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -57.65 -44.49 85.67 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.093 0.406 . . . . 55.22 111.763 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.15 -42.4 99.22 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.177 0.513 . . . . 21.97 111.616 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.0 -46.6 96.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-O 120.885 0.374 . . . . 13.53 110.556 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.84 -37.89 89.13 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.005 -1.078 . . . . 16.81 112.003 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -62.35 -45.81 91.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.923 -0.399 . . . . 74.65 109.923 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.54 -37.58 85.31 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 119.628 -0.829 . . . . 31.84 112.256 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.05 -40.52 97.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.671 0.748 . . . . 18.79 111.544 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.44 -37.43 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.708 -0.797 . . . . 44.12 110.314 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -66.93 -32.29 73.44 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 120.463 0.173 . . . . 60.31 111.4 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.1 -23.62 38.29 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.615 -0.678 . . . . 31.92 112.271 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 26.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' BOG . . . . . 0.481 H4'1 ' NE2' ' B' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 21.460000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.65 -36.13 49.47 Favored 'Trans proline' 0 CA--C 1.532 0.404 1 C-N-CA 125.589 4.193 . . . . 31.960000000000001 113.616 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.13 -32.86 72.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 118.781 0.719 . . . . 20.859999999999999 110.573 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.12 -42.73 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.596 0 N-CA-C 108.956 -0.757 . . . . 22.350000000000001 108.956 179.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.28 -45.31 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.858 -0.61 . . . . 17.82 109.635 177.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.19 90.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.735 -0.603 . . . . 14.42 109.807 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.93 82.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.654 0.74 . . . . 14.66 111.182 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -67.05 -41.13 87.03 Favored 'General case' 0 C--O 1.25 1.094 0 O-C-N 121.792 -0.568 . . . . 14.460000000000001 110.986 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.98 -45.04 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.765 -0.585 . . . . 16.690000000000001 110.25 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.444 HG23 H6'1 ' B' ' 101' ' ' BOG . 82.9 mt -58.82 -45.15 91.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.458 -0.497 . . . . 16.09 110.302 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.37 86.16 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.05 0.452 . . . . 14.41 110.571 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 74.8 mt -71.59 -36.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-O 119.197 -0.43 . . . . 17.550000000000001 110.937 -176.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 mt -59.22 -41.74 89.34 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 119.029 0.831 . . . . 15.789999999999999 110.236 174.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.481 ' NE2' H4'1 ' B' ' 101' ' ' BOG . 50.7 m170 -59.04 -43.57 91.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.393 0.616 . . . . 52.670000000000002 110.273 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.42 -44.65 94.01 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.736 -0.603 . . . . 26.530000000000001 111.152 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.22 -47.23 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.032 -0.531 . . . . 15.01 110.898 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.76 -37.64 85.02 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.139 0.495 . . . . 20.370000000000001 111.711 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.429 ' CH2' ' HD2' ' B' ' 45' ' ' ARG . 80.6 t90 -65.32 -42.52 92.91 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.542 -0.463 . . . . 72.239999999999995 109.857 178.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.43 -41.8 93.15 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.743 -0.783 . . . . 70.349999999999994 112.278 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.13 -40.23 89.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 119.613 -0.835 . . . . 20.010000000000002 112.115 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.59 -39.01 92.37 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.972 -0.558 . . . . 37.700000000000003 109.815 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.429 ' HD2' ' CH2' ' B' ' 41' ' ' TRP . 75.6 mtp85 -64.47 -36.98 85.95 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.26 -0.576 . . . . 59.68 112.118 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.41 -24.7 54.04 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.298 0.481 . . . . 41.25 112.298 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.689 -0.232 . . . . 29.329999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 18.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 -37.79 79.75 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.044 1.829 . . . . 31.899999999999999 114.16 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.8 -24.54 48.79 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 119.019 -1.073 . . . . 25.18 112.902 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.6 t -67.55 -41.57 85.94 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.655 0 C-N-CA 120.577 -0.449 . . . . 21.02 109.93 169.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.2 -45.09 99.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 121.495 -0.753 . . . . 18.579999999999998 110.436 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.03 81.73 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.86 -0.525 . . . . 13.85 109.808 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.35 78.43 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.834 -0.346 . . . . 13.66 110.711 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.1 m -67.14 -40.82 86.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.953 0.406 . . . . 21.899999999999999 111.026 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.99 -42.07 94.51 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 N-CA-C 109.384 -0.599 . . . . 14.83 109.384 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.89 -40.58 89.38 Favored 'Isoleucine or valine' 0 C--O 1.244 0.813 0 O-C-N 122.337 -0.227 . . . . 18.800000000000001 111.213 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.98 96.8 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.332 0.587 . . . . 13.44 109.893 177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.34 -39.09 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.524 -0.735 . . . . 15.210000000000001 111.104 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.3 mt -58.13 -42.01 84.89 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 119.803 -0.759 . . . . 14.51 110.271 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -57.65 -44.49 85.67 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.093 0.406 . . . . 55.219999999999999 111.763 176.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.15 -42.4 99.22 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.177 0.513 . . . . 21.969999999999999 111.616 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.0 -46.6 96.13 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-O 120.885 0.374 . . . . 13.529999999999999 110.556 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.84 -37.89 89.13 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 119.005 -1.078 . . . . 16.809999999999999 112.003 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -62.35 -45.81 91.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.923 -0.399 . . . . 74.650000000000006 109.923 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -66.54 -37.58 85.31 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 119.628 -0.829 . . . . 31.84 112.256 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.05 -40.52 97.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.671 0.748 . . . . 18.789999999999999 111.544 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.44 -37.43 85.86 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.708 -0.797 . . . . 44.119999999999997 110.314 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -66.93 -32.29 73.44 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 120.463 0.173 . . . . 60.310000000000002 111.4 177.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.5 mt -81.1 -23.62 38.29 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.615 -0.678 . . . . 31.920000000000002 112.271 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.388 . . . . 26.399999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' BOG . . . . . 0.481 H4'1 ' NE2' ' B' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' BOG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_