data_6sw8_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 6sw8 _Structure_validation_residue.Date_analyzed 2020-10-09 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' ' ' SER . . . . . 0.627 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 29.3 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.852 0.686 . . . . 122.85 112.852 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . 0.627 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.4 t0 -80.02 154.17 28.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.551 0.691 . . . . 114.17 110.968 -176.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 43.7 t -56.91 -47.82 79.67 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 115.359 -0.837 . . . . 84.27 112.679 -175.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -60.57 -33.75 73.17 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 121.798 -0.564 . . . . 74.83 111.575 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -70.55 -37.18 74.01 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 117.832 -1.547 . . . . 58.38 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.39 -45.48 89.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.764 0.792 . . . . 57.81 110.271 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -60.55 -43.16 97.54 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.798 -0.637 . . . . 54.92 110.659 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -58.3 -42.97 87.84 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 120.034 -0.666 . . . . 49.1 111.569 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.16 -44.36 88.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.133 -0.485 . . . . 39.49 110.676 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.29 -47.19 87.07 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 121.983 -0.448 . . . . 50.37 110.585 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.93 -47.55 91.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 120.376 -0.53 . . . . 42.97 110.756 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -58.18 -40.04 80.47 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 119.114 -1.034 . . . . 38.43 111.069 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 120.148 -0.621 . . . . 37.23 110.308 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.29 -39.16 82.17 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 117.416 -1.714 . . . . 56.25 111.084 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.5 -34.7 78.88 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 117.824 -1.55 . . . . 40.87 110.534 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -61.46 -41.4 97.18 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 118.349 -1.34 . . . . 36.71 109.599 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -56.03 -45.54 79.11 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 121.803 0.811 . . . . 47.79 111.178 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.8 mt -59.6 -47.19 91.89 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 CA-C-O 121.596 0.712 . . . . 38.4 111.06 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.24 -39.21 85.92 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.493 -0.883 . . . . 40.38 109.924 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.28 -39.28 93.62 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 119.699 -0.8 . . . . 45.22 110.816 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.1 -41.7 75.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.855 -0.738 . . . . 46.99 111.504 174.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -43.25 95.34 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.762 0.791 . . . . 34.69 110.433 178.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -62.05 -42.14 98.86 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 115.774 -0.648 . . . . 37.69 111.026 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.52 -13.9 62.46 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 112.727 0.64 . . . . 43.98 112.727 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -96.62 8.63 43.72 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 112.323 0.49 . . . . 49.56 112.323 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 62.85 34.3 14.47 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.55 0.69 . . . . 41.63 109.883 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 81.4 mtp -110.1 4.55 21.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.722 -0.656 . . . . 43.98 112.768 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -121.19 169.31 10.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.612 1.096 . . . . 39.15 109.524 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -101.3 -177.49 3.46 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.51 -1.293 . . . . 44.98 107.51 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.53 23.42 Favored Pre-proline 0 C--O 1.246 0.908 0 CA-C-N 115.688 -0.687 . . . . 45.01 111.976 -171.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.15 -37.02 77.94 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 117.598 -1.135 . . . . 45.37 112.027 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.397 -0.921 . . . . 35.89 111.648 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.99 -37.79 88.81 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.951 -0.699 . . . . 46.02 111.862 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.26 -48.11 82.85 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 119.803 -0.759 . . . . 66.13 110.359 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -61.24 -37.09 81.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.597 -0.841 . . . . 42.68 111.87 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 tp -62.7 -43.04 99.82 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 117.688 -1.605 . . . . 44.64 111.677 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -65.19 -45.28 85.43 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.032 -1.067 . . . . 63.88 110.492 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -59.21 -46.66 87.86 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 119.943 -0.703 . . . . 50.03 110.584 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -70.66 -26.84 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 121.684 -0.635 . . . . 39.65 112.053 -174.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.96 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.811 -1.155 . . . . 55.63 109.674 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.92 -37.39 87.49 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 118.462 -1.295 . . . . 63.99 110.092 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.41 -45.32 93.64 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.068 -0.515 . . . . 35.21 110.316 179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.77 -38.35 90.7 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.65 -0.82 . . . . 36.51 110.742 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.04 -42.37 97.1 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 117.553 -1.659 . . . . 70.6 110.667 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.75 65.02 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 118.223 -1.941 . . . . 37.84 111.679 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -63.77 -42.81 97.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.346 -1.091 . . . . 41.21 110.231 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.96 96.91 Favored Glycine 0 C--O 1.248 1.006 0 C-N-CA 119.943 -1.122 . . . . 41.5 110.816 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.251 1.167 0 C-N-CA 119.347 -0.941 . . . . 54.66 110.754 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 p -77.78 -24.47 48.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 114.615 -2.834 . . . . 58.03 111.145 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.93 -11.16 59.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.629 -1.628 . . . . 46.38 112.845 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.58 12.89 79.47 Favored Glycine 0 C--O 1.261 1.799 0 C-N-CA 119.858 -1.163 . . . . 43.25 115.442 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.2 mt -100.21 138.8 36.79 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 118.587 1.193 . . . . 48.13 111.249 -164.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.88 119.11 11.34 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.457 -0.792 . . . . 72.6 109.153 170.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.28 -30.46 71.33 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.722 0.638 . . . . 48.44 112.722 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -72.75 -44.31 61.8 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 117.491 -1.684 . . . . 93.75 110.102 -176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.55 -41.08 90.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.789 0.328 . . . . 56.65 110.31 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.14 93.01 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.56 -0.856 . . . . 42.23 110.958 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.44 -44.89 95.34 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 111.809 0.3 . . . . 47.53 111.809 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 69.3 mtp -62.64 -41.79 99.23 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.205 -0.598 . . . . 90.0 111.094 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.57 -37.62 85.34 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.839 -0.744 . . . . 71.47 110.341 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.14 -39.8 98.12 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.108 -1.044 . . . . 47.45 111.243 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -56.28 -45.2 80.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.634 -0.506 . . . . 74.13 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -64.57 -39.49 93.83 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.05 -0.66 . . . . 77.02 111.352 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.245 0.545 . . . . 57.55 109.832 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.03 -48.08 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.808 -0.757 . . . . 62.68 110.848 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -54.28 -37.8 65.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.034 -1.067 . . . . 81.11 111.034 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.92 -45.53 70.61 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.033 -1.067 . . . . 106.46 111.725 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.2 pt -73.54 -21.98 18.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 117.09 -1.844 . . . . 85.74 111.521 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -73.91 -27.61 61.12 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.534 0.606 . . . . 86.25 111.458 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.27 -44.18 95.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.144 0.429 . . . . 111.1 110.804 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . 0.587 ' OG ' ' NH2' ' B' ' 25' ' ' ARG . 2.9 p -96.62 31.01 2.4 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.028 0.751 . . . . 132.21 113.028 -173.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -76.59 -65.85 0.88 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.969 -0.457 . . . . 148.95 111.473 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.65 0.738 . . . . 177.85 111.992 -176.559 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 109.527 -0.546 . . . . 103.27 109.527 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.93 166.81 22.95 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 118.047 -1.461 . . . . 93.11 110.276 -173.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -57.2 -38.45 73.71 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.953 -1.476 . . . . 75.69 110.881 -175.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.81 -30.83 61.53 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.779 -1.168 . . . . 53.45 111.325 -175.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -61.58 -42.94 99.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 117.414 -1.714 . . . . 53.54 110.832 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.81 -49.49 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.65 -0.656 . . . . 56.91 110.578 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 94.4 m -57.59 -42.99 84.26 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.597 -0.689 . . . . 38.29 111.422 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -59.97 -43.66 94.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.226 -0.59 . . . . 36.76 110.394 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.87 -44.58 89.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.441 -0.504 . . . . 46.06 111.175 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -57.9 -47.45 82.76 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.274 -0.971 . . . . 39.54 111.182 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.73 -43.59 98.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.196 -1.001 . . . . 36.88 109.185 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -60.43 -39.56 87.92 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 118.691 -1.203 . . . . 36.82 109.976 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.35 -44.66 95.95 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 119.468 -0.893 . . . . 41.24 110.714 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.44 -41.12 89.62 Favored 'General case' 0 C--O 1.255 1.358 0 C-N-CA 118.266 -1.374 . . . . 58.91 111.285 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.2 mt -66.41 -33.94 76.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 117.881 -1.528 . . . . 39.89 110.935 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -57.83 -43.78 86.04 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.34 -0.85 . . . . 55.18 110.64 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.24 -40.22 85.23 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.884 -0.51 . . . . 59.86 111.186 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.01 -47.87 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 CA-C-O 121.349 0.595 . . . . 47.63 109.749 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.44 -39.01 82.19 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.643 -0.423 . . . . 52.29 111.033 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.71 -41.3 98.12 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 118.787 -1.165 . . . . 71.79 110.621 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.82 -44.16 90.79 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 119.73 -0.788 . . . . 80.22 110.193 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.09 -47.39 78.11 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.626 0.727 . . . . 60.9 110.516 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -66.99 -42.48 84.98 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 115.932 -0.576 . . . . 66.41 111.565 -173.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 63.1 mtp -60.75 -35.09 75.52 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.57 -0.852 . . . . 91.18 111.476 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 43.2 mtt180 -73.88 5.01 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 118.675 -0.678 . . . . 122.53 112.451 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.19 47.36 21.87 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.965 0.888 . . . . 105.89 111.171 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 89.8 mtp -115.29 6.56 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 86.72 112.135 -178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.26 167.13 11.11 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 118.814 0.734 . . . . 69.1 110.013 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -98.66 -178.63 4.05 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 118.323 -1.351 . . . . 61.1 108.063 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.53 90.63 Favored Pre-proline 0 C--O 1.242 0.706 0 CA-C-O 118.671 -0.681 . . . . 66.72 112.707 -177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -57.71 -35.26 98.87 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.166 1.452 . . . . 60.34 112.501 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.77 -40.32 95.07 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.602 -0.839 . . . . 52.08 110.497 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -40.62 95.62 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 112.406 0.521 . . . . 68.31 112.406 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.97 -42.0 93.19 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.654 -0.654 . . . . 76.13 111.537 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -67.33 -36.45 81.47 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.119 -1.033 . . . . 50.63 110.306 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.94 -46.89 88.88 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.869 0.842 . . . . 61.54 110.437 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -64.92 -45.8 84.33 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.292 -0.563 . . . . 88.13 110.993 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.32 -40.9 96.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.655 -0.818 . . . . 86.99 111.921 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.19 -30.91 69.2 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 118.569 -1.252 . . . . 50.44 111.051 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.98 -46.7 87.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.015 -0.674 . . . . 76.84 110.745 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -63.27 -42.31 99.11 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.031 -0.668 . . . . 97.38 111.116 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.58 97.26 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.209 -0.596 . . . . 51.37 111.42 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -41.2 91.95 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 121.55 -0.719 . . . . 48.78 111.26 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.57 -40.13 82.24 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 120.028 -0.669 . . . . 87.45 110.536 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.87 -44.31 56.28 Favored Glycine 0 C--O 1.245 0.827 0 C-N-CA 120.164 -1.017 . . . . 60.3 112.922 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -59.52 -43.99 93.27 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 122.408 -0.466 . . . . 67.6 109.942 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.28 -44.87 97.04 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 120.175 -1.012 . . . . 50.84 113.144 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -53.25 58.31 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.244 0.545 . . . . 75.9 111.646 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -61.28 -37.52 83.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.308 -0.406 . . . . 73.88 111.177 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.44 -8.79 59.68 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 117.306 -1.758 . . . . 58.12 112.943 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.27 20.91 79.45 Favored Glycine 0 C--O 1.259 1.675 0 N-CA-C 116.03 1.172 . . . . 52.85 116.03 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.99 135.58 41.2 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 117.791 0.796 . . . . 50.62 111.979 -169.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -70.63 119.03 14.18 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.519 -0.548 . . . . 54.3 109.519 172.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.94 -29.28 67.49 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.733 0.302 . . . . 45.82 111.132 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -68.88 -43.13 75.97 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 117.19 -1.804 . . . . 93.24 109.401 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -37.38 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.759 -0.776 . . . . 47.21 109.765 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.45 86.49 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.084 -0.646 . . . . 40.35 110.992 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 87.3 m -61.14 -46.84 88.9 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.22 0.533 . . . . 40.7 110.203 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 51.4 mtp -62.31 -36.94 83.7 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 120.229 -0.588 . . . . 73.98 111.4 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.73 -37.48 79.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.521 -1.272 . . . . 67.56 110.375 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.84 -34.16 86.06 Favored Glycine 0 N--CA 1.478 1.488 0 C-N-CA 120.559 -0.829 . . . . 40.24 111.093 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LYS . . . . . 0.457 ' NZ ' ' OE2' ' B' ' 66' ' ' GLU . 23.4 tttm -67.33 -44.15 79.81 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.594 -0.945 . . . . 70.79 109.194 -179.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -59.42 -45.84 90.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 120.31 -0.556 . . . . 57.99 110.969 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.16 -48.1 89.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.143 0.497 . . . . 48.17 110.703 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.21 -43.97 97.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 119.089 -1.044 . . . . 47.84 111.107 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . 0.457 ' OE2' ' NZ ' ' B' ' 62' ' ' LYS . 96.9 mt-10 -61.79 -40.03 93.79 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.351 -1.34 . . . . 78.06 110.592 -179.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -53.54 56.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.158 -0.928 . . . . 89.3 111.388 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.0 pt -74.18 -29.72 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 117.383 -1.727 . . . . 60.39 110.655 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 120.972 -1.08 . . . . 66.03 111.34 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -59.54 -35.58 74.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.389 -0.524 . . . . 93.35 111.936 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.6 p -74.52 -11.21 60.16 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.776 1.028 . . . . 80.51 113.776 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -94.55 -19.02 20.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.045 0.757 . . . . 93.79 113.045 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.975 0.732 . . . . 123.33 112.975 175.327 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . 0.587 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 29.3 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.852 0.686 . . . . 122.85 112.852 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.587 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.4 t0 -80.02 154.17 28.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.551 0.691 . . . . 114.17 110.968 -176.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 43.7 t -56.91 -47.82 79.67 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 115.359 -0.837 . . . . 84.27 112.679 -175.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -60.57 -33.75 73.17 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 121.798 -0.564 . . . . 74.83 111.575 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -70.55 -37.18 74.01 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 117.832 -1.547 . . . . 58.38 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.39 -45.48 89.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.764 0.792 . . . . 57.81 110.271 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -60.55 -43.16 97.54 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.798 -0.637 . . . . 54.92 110.659 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -58.3 -42.97 87.84 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 120.034 -0.666 . . . . 49.1 111.569 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.16 -44.36 88.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.133 -0.485 . . . . 39.49 110.676 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.29 -47.19 87.07 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 121.983 -0.448 . . . . 50.37 110.585 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.93 -47.55 91.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 120.376 -0.53 . . . . 42.97 110.756 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -58.18 -40.04 80.47 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 119.114 -1.034 . . . . 38.43 111.069 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 120.148 -0.621 . . . . 37.23 110.308 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.29 -39.16 82.17 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 117.416 -1.714 . . . . 56.25 111.084 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.5 -34.7 78.88 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 117.824 -1.55 . . . . 40.87 110.534 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -61.46 -41.4 97.18 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 118.349 -1.34 . . . . 36.71 109.599 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' NE2' ' H21' ' A' ' 102' ' ' EDO . 75.5 t60 -56.03 -45.54 79.11 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 121.803 0.811 . . . . 47.79 111.178 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.8 mt -59.6 -47.19 91.89 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 CA-C-O 121.596 0.712 . . . . 38.4 111.06 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.24 -39.21 85.92 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.493 -0.883 . . . . 40.38 109.924 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 24' ' ' MET . 53.1 tptt -64.28 -39.28 93.62 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 119.699 -0.8 . . . . 45.22 110.816 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD23 ' CE ' ' A' ' 24' ' ' MET . 79.7 mt -56.1 -41.7 75.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.855 -0.738 . . . . 46.99 111.504 174.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -64.29 -43.25 95.34 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.762 0.791 . . . . 34.92 110.433 178.317 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -62.05 -42.14 98.86 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 115.774 -0.648 . . . . 37.69 111.026 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . 0.561 ' HE3' ' O ' ' A' ' 229' ' ' HOH . 72.4 mtm -67.52 -13.9 62.46 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 112.727 0.64 . . . . 52.04 112.727 -179.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -96.62 8.63 43.72 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 112.323 0.49 . . . . 49.56 112.323 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 62.85 34.3 14.47 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.55 0.69 . . . . 41.63 109.883 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.488 ' HB2' HD22 ' A' ' 22' ' ' LEU . 81.4 mtp -110.1 4.55 21.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.722 -0.656 . . . . 43.98 112.768 -174.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -121.19 169.31 10.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.612 1.096 . . . . 39.15 109.524 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -101.3 -177.49 3.46 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.51 -1.293 . . . . 44.98 107.51 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.53 23.42 Favored Pre-proline 0 C--O 1.246 0.908 0 CA-C-N 115.688 -0.687 . . . . 45.01 111.976 -171.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.15 -37.02 77.94 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 117.598 -1.135 . . . . 45.37 112.027 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.397 -0.921 . . . . 35.89 111.648 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.99 -37.79 88.81 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.951 -0.699 . . . . 46.02 111.862 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.26 -48.11 82.85 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 119.803 -0.759 . . . . 66.13 110.359 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -61.24 -37.09 81.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.597 -0.841 . . . . 42.68 111.87 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 tp -62.7 -43.04 99.82 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 117.688 -1.605 . . . . 44.64 111.677 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -65.19 -45.28 85.43 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.032 -1.067 . . . . 63.88 110.492 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -59.21 -46.66 87.86 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 119.943 -0.703 . . . . 50.03 110.584 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' H21' ' A' ' 103' ' ' PEG . 86.8 m-20 -70.66 -26.84 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 121.684 -0.635 . . . . 39.65 112.053 -174.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.96 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.811 -1.155 . . . . 55.63 109.674 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.92 -37.39 87.49 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 118.462 -1.295 . . . . 63.99 110.092 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' H12' ' A' ' 103' ' ' PEG . . . -62.41 -45.32 93.64 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.068 -0.515 . . . . 35.21 110.316 179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.77 -38.35 90.7 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.65 -0.82 . . . . 36.51 110.742 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.04 -42.37 97.1 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 117.553 -1.659 . . . . 70.6 110.667 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.75 65.02 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 118.223 -1.941 . . . . 37.84 111.679 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -63.77 -42.81 97.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.346 -1.091 . . . . 41.21 110.231 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.96 96.91 Favored Glycine 0 C--O 1.248 1.006 0 C-N-CA 119.943 -1.122 . . . . 41.5 110.816 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.251 1.167 0 C-N-CA 119.347 -0.941 . . . . 54.66 110.754 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 p -77.78 -24.47 48.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 114.615 -2.834 . . . . 58.03 111.145 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.93 -11.16 59.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.629 -1.628 . . . . 46.38 112.845 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.58 12.89 79.47 Favored Glycine 0 C--O 1.261 1.799 0 C-N-CA 119.858 -1.163 . . . . 43.25 115.442 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.2 mt -100.21 138.8 36.79 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 118.587 1.193 . . . . 48.13 111.249 -164.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.88 119.11 11.34 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.457 -0.792 . . . . 72.6 109.153 170.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.28 -30.46 71.33 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.722 0.638 . . . . 48.44 112.722 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -72.75 -44.31 61.8 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 117.491 -1.684 . . . . 93.75 110.102 -176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.55 -41.08 90.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.789 0.328 . . . . 56.65 110.31 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.14 93.01 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.56 -0.856 . . . . 42.23 110.958 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.44 -44.89 95.34 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 111.809 0.3 . . . . 47.53 111.809 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 69.3 mtp -62.64 -41.79 99.23 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.205 -0.598 . . . . 90.0 111.094 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.57 -37.62 85.34 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.839 -0.744 . . . . 71.47 110.341 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.14 -39.8 98.12 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.108 -1.044 . . . . 47.45 111.243 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -56.28 -45.2 80.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.634 -0.506 . . . . 74.13 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -64.57 -39.49 93.83 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.05 -0.66 . . . . 77.02 111.352 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.245 0.545 . . . . 57.55 109.832 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.03 -48.08 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.808 -0.757 . . . . 62.68 110.848 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -54.28 -37.8 65.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.034 -1.067 . . . . 81.11 111.034 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.92 -45.53 70.61 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.033 -1.067 . . . . 106.46 111.725 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.2 pt -73.54 -21.98 18.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 117.09 -1.844 . . . . 85.74 111.521 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -73.91 -27.61 61.12 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.534 0.606 . . . . 86.25 111.458 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.27 -44.18 95.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.144 0.429 . . . . 111.1 110.804 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . 0.587 ' OG ' ' NH2' ' B' ' 25' ' ' ARG . 2.9 p -96.62 31.01 2.4 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.028 0.751 . . . . 132.21 113.028 -173.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -76.59 -65.85 0.88 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.969 -0.457 . . . . 148.95 111.473 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.65 0.738 . . . . 177.85 111.992 -176.559 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 109.527 -0.546 . . . . 103.27 109.527 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.93 166.81 22.95 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 118.047 -1.461 . . . . 93.11 110.276 -173.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -57.2 -38.45 73.71 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.953 -1.476 . . . . 75.69 110.881 -175.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -74.81 -30.83 61.53 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.779 -1.168 . . . . 53.45 111.325 -175.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -61.58 -42.94 99.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 117.414 -1.714 . . . . 53.54 110.832 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.81 -49.49 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.65 -0.656 . . . . 56.91 110.578 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . 0.445 HG23 HD13 ' B' ' 64' ' ' ILE . 94.4 m -57.59 -42.99 84.26 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.597 -0.689 . . . . 38.29 111.422 179.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -59.97 -43.66 94.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.226 -0.59 . . . . 36.76 110.394 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 54' ' ' LEU . 85.4 t80 -64.87 -44.58 89.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.441 -0.504 . . . . 46.06 111.175 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -57.9 -47.45 82.76 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.274 -0.971 . . . . 39.54 111.182 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.73 -43.59 98.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.196 -1.001 . . . . 36.88 109.185 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -60.43 -39.56 87.92 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 118.691 -1.203 . . . . 36.82 109.976 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.35 -44.66 95.95 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 119.468 -0.893 . . . . 41.24 110.714 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.44 -41.12 89.62 Favored 'General case' 0 C--O 1.255 1.358 0 C-N-CA 118.266 -1.374 . . . . 58.91 111.285 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.2 mt -66.41 -33.94 76.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 117.881 -1.528 . . . . 39.89 110.935 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -57.83 -43.78 86.04 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.34 -0.85 . . . . 55.18 110.64 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.24 -40.22 85.23 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.884 -0.51 . . . . 59.86 111.186 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.01 -47.87 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 CA-C-O 121.349 0.595 . . . . 47.63 109.749 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.44 -39.01 82.19 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.643 -0.423 . . . . 52.29 111.033 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.71 -41.3 98.12 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 118.787 -1.165 . . . . 71.79 110.621 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.82 -44.16 90.79 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 119.73 -0.788 . . . . 80.22 110.193 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' B' ' 28' ' ' CYS . 14.5 tp -56.09 -47.39 78.11 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.626 0.727 . . . . 60.9 110.516 177.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -66.99 -42.48 84.98 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 115.932 -0.576 . . . . 66.41 111.565 -173.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 63.1 mtp -60.75 -35.09 75.52 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.57 -0.852 . . . . 91.18 111.476 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 43.2 mtt180 -73.88 5.01 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 118.675 -0.678 . . . . 122.53 112.451 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.19 47.36 21.87 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.965 0.888 . . . . 105.89 111.171 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 89.8 mtp -115.29 6.56 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 86.72 112.135 -178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . 0.459 ' HB3' HD23 ' B' ' 22' ' ' LEU . 17.3 p -115.26 167.13 11.11 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 118.814 0.734 . . . . 69.1 110.013 -179.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -98.66 -178.63 4.05 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 118.323 -1.351 . . . . 61.1 108.063 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . -62.03 -47.53 90.63 Favored Pre-proline 0 C--O 1.242 0.706 0 CA-C-O 118.671 -0.681 . . . . 66.72 112.707 -177.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 99.5 Cg_exo -57.71 -35.26 98.87 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.166 1.452 . . . . 60.34 112.501 178.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.77 -40.32 95.07 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.602 -0.839 . . . . 52.08 110.497 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -40.62 95.62 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 112.406 0.521 . . . . 68.31 112.406 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.97 -42.0 93.19 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.654 -0.654 . . . . 76.13 111.537 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -67.33 -36.45 81.47 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.119 -1.033 . . . . 50.63 110.306 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.94 -46.89 88.88 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.869 0.842 . . . . 61.54 110.437 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -64.92 -45.8 84.33 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.292 -0.563 . . . . 88.13 110.993 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.32 -40.9 96.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.655 -0.818 . . . . 86.99 111.921 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.19 -30.91 69.2 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 118.569 -1.252 . . . . 50.44 111.051 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.98 -46.7 87.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.015 -0.674 . . . . 76.84 110.745 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -63.27 -42.31 99.11 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.031 -0.668 . . . . 97.38 111.116 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.58 97.26 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.209 -0.596 . . . . 51.37 111.42 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -41.2 91.95 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 121.55 -0.719 . . . . 48.78 111.26 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.57 -40.13 82.24 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 120.028 -0.669 . . . . 87.45 110.536 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.87 -44.31 56.28 Favored Glycine 0 C--O 1.245 0.827 0 C-N-CA 120.164 -1.017 . . . . 60.3 112.922 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -59.52 -43.99 93.27 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 122.408 -0.466 . . . . 67.6 109.942 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.28 -44.87 97.04 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 120.175 -1.012 . . . . 50.84 113.144 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -53.25 58.31 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.244 0.545 . . . . 75.9 111.646 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -61.28 -37.52 83.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.308 -0.406 . . . . 73.88 111.177 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.44 -8.79 59.68 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 117.306 -1.758 . . . . 58.12 112.943 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.27 20.91 79.45 Favored Glycine 0 C--O 1.259 1.675 0 N-CA-C 116.03 1.172 . . . . 52.85 116.03 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.99 135.58 41.2 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 117.791 0.796 . . . . 50.62 111.979 -169.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -70.63 119.03 14.18 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.519 -0.548 . . . . 54.3 109.519 172.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . 0.517 HD23 ' H21' ' B' ' 101' ' ' EDO . 5.0 mt -68.94 -29.28 67.49 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.733 0.302 . . . . 45.82 111.132 -174.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -68.88 -43.13 75.97 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 117.19 -1.804 . . . . 93.24 109.401 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -37.38 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.759 -0.776 . . . . 47.21 109.765 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.45 86.49 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.084 -0.646 . . . . 40.35 110.992 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 87.3 m -61.14 -46.84 88.9 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.22 0.533 . . . . 40.7 110.203 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 51.4 mtp -62.31 -36.94 83.7 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 120.229 -0.588 . . . . 73.98 111.4 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.73 -37.48 79.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.521 -1.272 . . . . 67.56 110.375 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.84 -34.16 86.06 Favored Glycine 0 N--CA 1.478 1.488 0 C-N-CA 120.559 -0.829 . . . . 40.24 111.093 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' B' ' 66' ' ' GLU . 23.4 tttm -67.33 -44.15 79.81 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.594 -0.945 . . . . 70.79 109.194 -179.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -59.42 -45.84 90.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 120.31 -0.556 . . . . 57.99 110.969 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ILE . . . . . 0.445 HD13 HG23 ' B' ' 7' ' ' THR . 66.7 mt -63.16 -48.1 89.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.143 0.497 . . . . 48.17 110.703 -177.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.21 -43.97 97.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 119.089 -1.044 . . . . 47.84 111.107 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' B' ' 62' ' ' LYS . 96.9 mt-10 -61.79 -40.03 93.79 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.351 -1.34 . . . . 78.06 110.592 -179.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -53.54 56.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.158 -0.928 . . . . 89.3 111.388 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.0 pt -74.18 -29.72 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 117.383 -1.727 . . . . 60.39 110.655 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 120.972 -1.08 . . . . 66.03 111.34 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -59.54 -35.58 74.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.389 -0.524 . . . . 93.35 111.936 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.6 p -74.52 -11.21 60.16 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.776 1.028 . . . . 80.51 113.776 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HB3' ' H22' ' A' ' 102' ' ' EDO . 3.4 tp10 -94.55 -19.02 20.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.045 0.757 . . . . 93.79 113.045 -179.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.975 0.732 . . . . 123.33 112.975 175.327 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' EDO . . . . . 0.549 ' H22' ' HB3' ' B' ' 72' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PEG . . . . . 0.787 ' H21' ' HB3' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PEG . . . . . 0.553 ' H32' ' O1 ' ' A' ' 104' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' EDO . . . . . 0.517 ' H21' HD23 ' B' ' 54' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . 0.561 ' O ' ' HE3' ' A' ' 24' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . 0.462 ' O ' ' H42' ' A' ' 104' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . 0.403 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . 0.587 ' OG ' ' N ' ' A' ' 2' ' ' ASP . 29.3 t . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.852 0.686 . . . . 122.85 112.852 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.587 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.4 t0 -80.02 154.17 28.36 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.551 0.691 . . . . 114.17 110.968 -176.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 43.7 t -56.91 -47.82 79.67 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 115.359 -0.837 . . . . 84.27 112.679 -175.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -60.57 -33.75 73.17 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 121.798 -0.564 . . . . 74.83 111.575 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -70.55 -37.18 74.01 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 117.832 -1.547 . . . . 58.38 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.39 -45.48 89.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.764 0.792 . . . . 57.81 110.271 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -60.55 -43.16 97.54 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.798 -0.637 . . . . 54.92 110.659 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.9 m -58.3 -42.97 87.84 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 120.034 -0.666 . . . . 49.1 111.569 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.16 -44.36 88.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.133 -0.485 . . . . 39.49 110.676 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -60.29 -47.19 87.07 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 121.983 -0.448 . . . . 50.37 110.585 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.93 -47.55 91.2 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 120.376 -0.53 . . . . 42.97 110.756 177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -58.18 -40.04 80.47 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 119.114 -1.034 . . . . 38.43 111.069 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 120.148 -0.621 . . . . 37.23 110.308 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.29 -39.16 82.17 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 117.416 -1.714 . . . . 56.25 111.084 -176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.5 -34.7 78.88 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 117.824 -1.55 . . . . 40.87 110.534 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -61.46 -41.4 97.18 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 118.349 -1.34 . . . . 36.71 109.599 175.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' NE2' ' H21' ' A' ' 102' ' ' EDO . 75.5 t60 -56.03 -45.54 79.11 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-O 121.803 0.811 . . . . 47.79 111.178 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.8 mt -59.6 -47.19 91.89 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 CA-C-O 121.596 0.712 . . . . 38.4 111.06 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.24 -39.21 85.92 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.493 -0.883 . . . . 40.38 109.924 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 24' ' ' MET . 53.1 tptt -64.28 -39.28 93.62 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 119.699 -0.8 . . . . 45.22 110.816 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD23 ' CE ' ' A' ' 24' ' ' MET . 79.7 mt -56.1 -41.7 75.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 119.855 -0.738 . . . . 46.99 111.504 174.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 ' HB2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -64.29 -43.25 95.34 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.762 0.791 . . . . 34.92 110.433 178.317 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -62.05 -42.14 98.86 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 115.774 -0.648 . . . . 37.69 111.026 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . 0.561 ' HE3' ' O ' ' A' ' 229' ' ' HOH . 72.4 mtm -67.52 -13.9 62.46 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 112.727 0.64 . . . . 52.04 112.727 -179.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -96.62 8.63 43.72 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 112.323 0.49 . . . . 49.56 112.323 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 62.85 34.3 14.47 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 121.55 0.69 . . . . 41.63 109.883 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.488 ' HB2' HD22 ' A' ' 22' ' ' LEU . 81.4 mtp -110.1 4.55 21.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.722 -0.656 . . . . 43.98 112.768 -174.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -121.19 169.31 10.67 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 119.612 1.096 . . . . 39.15 109.524 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -101.3 -177.49 3.46 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 107.51 -1.293 . . . . 44.98 107.51 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.53 23.42 Favored Pre-proline 0 C--O 1.246 0.908 0 CA-C-N 115.688 -0.687 . . . . 45.01 111.976 -171.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -61.15 -37.02 77.94 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 117.598 -1.135 . . . . 45.37 112.027 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.397 -0.921 . . . . 35.89 111.648 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.99 -37.79 88.81 Favored 'General case' 0 C--O 1.249 1.066 0 C-N-CA 119.951 -0.699 . . . . 46.02 111.862 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.26 -48.11 82.85 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 119.803 -0.759 . . . . 66.13 110.359 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -61.24 -37.09 81.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 119.597 -0.841 . . . . 42.68 111.87 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 tp -62.7 -43.04 99.82 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 117.688 -1.605 . . . . 44.64 111.677 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -65.19 -45.28 85.43 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 119.032 -1.067 . . . . 63.88 110.492 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt-85 -59.21 -46.66 87.86 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 119.943 -0.703 . . . . 50.03 110.584 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' H21' ' A' ' 103' ' ' PEG . 86.8 m-20 -70.66 -26.84 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 121.684 -0.635 . . . . 39.65 112.053 -174.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.96 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.811 -1.155 . . . . 55.63 109.674 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -64.92 -37.39 87.49 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 118.462 -1.295 . . . . 63.99 110.092 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' H12' ' A' ' 103' ' ' PEG . . . -62.41 -45.32 93.64 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.068 -0.515 . . . . 35.21 110.316 179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.77 -38.35 90.7 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 119.65 -0.82 . . . . 36.51 110.742 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.04 -42.37 97.1 Favored 'General case' 0 C--O 1.25 1.097 0 C-N-CA 117.553 -1.659 . . . . 70.6 110.667 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -41.75 65.02 Favored Glycine 0 N--CA 1.476 1.333 0 C-N-CA 118.223 -1.941 . . . . 37.84 111.679 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -63.77 -42.81 97.73 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.346 -1.091 . . . . 41.21 110.231 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.96 96.91 Favored Glycine 0 C--O 1.248 1.006 0 C-N-CA 119.943 -1.122 . . . . 41.5 110.816 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -61.71 -40.73 96.08 Favored 'General case' 0 C--O 1.251 1.167 0 C-N-CA 119.347 -0.941 . . . . 54.66 110.754 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.3 p -77.78 -24.47 48.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 114.615 -2.834 . . . . 58.03 111.145 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.93 -11.16 59.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 117.629 -1.628 . . . . 46.38 112.845 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.58 12.89 79.47 Favored Glycine 0 C--O 1.261 1.799 0 C-N-CA 119.858 -1.163 . . . . 43.25 115.442 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.2 mt -100.21 138.8 36.79 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 118.587 1.193 . . . . 48.13 111.249 -164.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.88 119.11 11.34 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.457 -0.792 . . . . 72.6 109.153 170.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.28 -30.46 71.33 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.722 0.638 . . . . 48.44 112.722 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 ttp85 -72.75 -44.31 61.8 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 117.491 -1.684 . . . . 93.75 110.102 -176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.55 -41.08 90.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.789 0.328 . . . . 56.65 110.31 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.14 93.01 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.56 -0.856 . . . . 42.23 110.958 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.6 m -60.44 -44.89 95.34 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 111.809 0.3 . . . . 47.53 111.809 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 69.3 mtp -62.64 -41.79 99.23 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 120.205 -0.598 . . . . 90.0 111.094 177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.57 -37.62 85.34 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 119.839 -0.744 . . . . 71.47 110.341 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.14 -39.8 98.12 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.108 -1.044 . . . . 47.45 111.243 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -56.28 -45.2 80.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.634 -0.506 . . . . 74.13 109.634 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -64.57 -39.49 93.83 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.05 -0.66 . . . . 77.02 111.352 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.2 mt -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.245 0.545 . . . . 57.55 109.832 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.03 -48.08 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.808 -0.757 . . . . 62.68 110.848 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -54.28 -37.8 65.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 119.034 -1.067 . . . . 81.11 111.034 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.92 -45.53 70.61 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.033 -1.067 . . . . 106.46 111.725 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.2 pt -73.54 -21.98 18.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 117.09 -1.844 . . . . 85.74 111.521 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -73.91 -27.61 61.12 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.534 0.606 . . . . 86.25 111.458 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.27 -44.18 95.56 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 118.144 0.429 . . . . 111.1 110.804 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . 0.587 ' OG ' ' NH2' ' B' ' 25' ' ' ARG . 2.9 p -96.62 31.01 2.4 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 113.028 0.751 . . . . 132.21 113.028 -173.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -76.59 -65.85 0.88 Allowed 'General case' 0 C--O 1.235 0.332 0 O-C-N 121.969 -0.457 . . . . 148.95 111.473 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.65 0.738 . . . . 177.85 111.992 -176.559 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.55 0.974 0 N-CA-C 109.527 -0.546 . . . . 103.27 109.527 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.93 166.81 22.95 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 118.047 -1.461 . . . . 93.11 110.276 -173.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -57.2 -38.45 73.71 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 113.953 -1.476 . . . . 75.69 110.881 -175.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.81 -30.83 61.53 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.779 -1.168 . . . . 53.45 111.325 -175.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -61.58 -42.94 99.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 117.414 -1.714 . . . . 53.54 110.832 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.81 -49.49 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.65 -0.656 . . . . 56.91 110.578 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . 0.445 HG23 HD13 ' B' ' 64' ' ' ILE . 94.4 m -57.59 -42.99 84.26 Favored 'General case' 0 C--O 1.247 0.924 0 O-C-N 121.597 -0.689 . . . . 38.29 111.422 179.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -59.97 -43.66 94.95 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.226 -0.59 . . . . 36.76 110.394 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.403 ' HZ ' HD11 ' B' ' 54' ' ' LEU . 85.4 t80 -64.87 -44.58 89.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 120.441 -0.504 . . . . 46.06 111.175 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -57.9 -47.45 82.76 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.274 -0.971 . . . . 39.54 111.182 178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.73 -43.59 98.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 119.196 -1.001 . . . . 36.88 109.185 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -60.43 -39.56 87.92 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 118.691 -1.203 . . . . 36.82 109.976 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.35 -44.66 95.95 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 119.468 -0.893 . . . . 41.24 110.714 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.44 -41.12 89.62 Favored 'General case' 0 C--O 1.255 1.358 0 C-N-CA 118.266 -1.374 . . . . 58.91 111.285 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.2 mt -66.41 -33.94 76.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 117.881 -1.528 . . . . 39.89 110.935 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -57.83 -43.78 86.04 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.34 -0.85 . . . . 55.18 110.64 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.24 -40.22 85.23 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 121.884 -0.51 . . . . 59.86 111.186 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.01 -47.87 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 CA-C-O 121.349 0.595 . . . . 47.63 109.749 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.44 -39.01 82.19 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.643 -0.423 . . . . 52.29 111.033 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.71 -41.3 98.12 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 118.787 -1.165 . . . . 71.79 110.621 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.82 -44.16 90.79 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 119.73 -0.788 . . . . 80.22 110.193 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' B' ' 28' ' ' CYS . 14.5 tp -56.09 -47.39 78.11 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.626 0.727 . . . . 60.9 110.516 177.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -66.99 -42.48 84.98 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 115.932 -0.576 . . . . 66.41 111.565 -173.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 63.1 mtp -60.75 -35.09 75.52 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.57 -0.852 . . . . 91.18 111.476 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.587 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 43.2 mtt180 -73.88 5.01 4.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 118.675 -0.678 . . . . 122.53 112.451 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.19 47.36 21.87 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.965 0.888 . . . . 105.89 111.171 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 89.8 mtp -115.29 6.56 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 86.72 112.135 -178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . 0.459 ' HB3' HD23 ' B' ' 22' ' ' LEU . 17.3 p -115.26 167.13 11.11 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 118.814 0.734 . . . . 69.1 110.013 -179.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -98.66 -178.63 4.05 Favored 'General case' 0 C--O 1.246 0.897 0 C-N-CA 118.323 -1.351 . . . . 61.1 108.063 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' B' ' 31' ' ' PRO . . . -62.03 -47.53 90.63 Favored Pre-proline 0 C--O 1.242 0.706 0 CA-C-O 118.671 -0.681 . . . . 66.72 112.707 -177.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HD3' ' HB3' ' B' ' 30' ' ' ALA . 99.5 Cg_exo -57.71 -35.26 98.87 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 CA-C-N 121.166 1.452 . . . . 60.34 112.501 178.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.77 -40.32 95.07 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 119.602 -0.839 . . . . 52.08 110.497 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -40.62 95.62 Favored 'General case' 0 C--O 1.242 0.686 0 N-CA-C 112.406 0.521 . . . . 68.31 112.406 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -59.97 -42.0 93.19 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.654 -0.654 . . . . 76.13 111.537 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -67.33 -36.45 81.47 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.119 -1.033 . . . . 50.63 110.306 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.94 -46.89 88.88 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 121.869 0.842 . . . . 61.54 110.437 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -64.92 -45.8 84.33 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.292 -0.563 . . . . 88.13 110.993 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.32 -40.9 96.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.655 -0.818 . . . . 86.99 111.921 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.19 -30.91 69.2 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 118.569 -1.252 . . . . 50.44 111.051 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.98 -46.7 87.46 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.015 -0.674 . . . . 76.84 110.745 176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -63.27 -42.31 99.11 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.031 -0.668 . . . . 97.38 111.116 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.58 97.26 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.209 -0.596 . . . . 51.37 111.42 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -41.2 91.95 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 121.55 -0.719 . . . . 48.78 111.26 -179.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.57 -40.13 82.24 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 120.028 -0.669 . . . . 87.45 110.536 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.87 -44.31 56.28 Favored Glycine 0 C--O 1.245 0.827 0 C-N-CA 120.164 -1.017 . . . . 60.3 112.922 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -59.52 -43.99 93.27 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 122.408 -0.466 . . . . 67.6 109.942 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.28 -44.87 97.04 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 120.175 -1.012 . . . . 50.84 113.144 176.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.14 -53.25 58.31 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.244 0.545 . . . . 75.9 111.646 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -61.28 -37.52 83.44 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.308 -0.406 . . . . 73.88 111.177 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.44 -8.79 59.68 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 117.306 -1.758 . . . . 58.12 112.943 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.27 20.91 79.45 Favored Glycine 0 C--O 1.259 1.675 0 N-CA-C 116.03 1.172 . . . . 52.85 116.03 -174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.99 135.58 41.2 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 117.791 0.796 . . . . 50.62 111.979 -169.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -70.63 119.03 14.18 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 109.519 -0.548 . . . . 54.3 109.519 172.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.517 HD23 ' H21' ' B' ' 101' ' ' EDO . 5.0 mt -68.94 -29.28 67.49 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.733 0.302 . . . . 45.82 111.132 -174.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -68.88 -43.13 75.97 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 117.19 -1.804 . . . . 93.24 109.401 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -37.38 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.759 -0.776 . . . . 47.21 109.765 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.45 86.49 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.084 -0.646 . . . . 40.35 110.992 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 87.3 m -61.14 -46.84 88.9 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-O 121.22 0.533 . . . . 40.7 110.203 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 51.4 mtp -62.31 -36.94 83.7 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 120.229 -0.588 . . . . 73.98 111.4 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.73 -37.48 79.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.521 -1.272 . . . . 67.56 110.375 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.84 -34.16 86.06 Favored Glycine 0 N--CA 1.478 1.488 0 C-N-CA 120.559 -0.829 . . . . 40.24 111.093 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' B' ' 66' ' ' GLU . 23.4 tttm -67.33 -44.15 79.81 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.594 -0.945 . . . . 70.79 109.194 -179.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -59.42 -45.84 90.4 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 120.31 -0.556 . . . . 57.99 110.969 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.445 HD13 HG23 ' B' ' 7' ' ' THR . 66.7 mt -63.16 -48.1 89.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.143 0.497 . . . . 48.17 110.703 -177.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.21 -43.97 97.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 C-N-CA 119.089 -1.044 . . . . 47.84 111.107 178.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' B' ' 62' ' ' LYS . 96.9 mt-10 -61.79 -40.03 93.79 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 118.351 -1.34 . . . . 78.06 110.592 -179.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -53.54 56.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.158 -0.928 . . . . 89.3 111.388 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.0 pt -74.18 -29.72 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 117.383 -1.727 . . . . 60.39 110.655 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.244 0.797 0 O-C-N 120.972 -1.08 . . . . 66.03 111.34 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -59.54 -35.58 74.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.389 -0.524 . . . . 93.35 111.936 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 18.6 p -74.52 -11.21 60.16 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.776 1.028 . . . . 80.51 113.776 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HB3' ' H22' ' A' ' 102' ' ' EDO . 3.4 tp10 -94.55 -19.02 20.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.045 0.757 . . . . 93.79 113.045 -179.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.975 0.732 . . . . 123.33 112.975 175.327 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' EDO . . . . . 0.549 ' H22' ' HB3' ' B' ' 72' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PEG . . . . . 0.787 ' H21' ' HB3' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PEG . . . . . 0.553 ' H32' ' O1 ' ' A' ' 104' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' EDO . . . . . 0.517 ' H21' HD23 ' B' ' 54' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . 0.561 ' O ' ' HE3' ' A' ' 24' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . 0.462 ' O ' ' H42' ' A' ' 104' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . 0.403 ' O ' ' HG ' ' B' ' 54' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_