data_4ynx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4ynx _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.448 -1.161 0 N-CA-C 115.739 1.4 . . . . 28.09 115.739 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.51 134.63 29.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 CA-C-N 113.61 -1.632 . . . . 20.11 107.685 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.02 154.53 41.82 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 116.681 -2.008 . . . . 27.17 111.094 -178.783 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -116.96 137.77 52.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.535 1.147 . . . . 47.3 110.613 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.1 mt -134.41 144.43 35.15 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 N-CA-C 106.311 -1.737 . . . . 16.64 106.311 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -70.99 142.99 50.96 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.12 0.486 . . . . 15.44 110.358 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -57.67 -30.55 65.53 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 117.839 -1.077 . . . . 14.09 111.32 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.79 -39.42 77.47 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 114.082 1.142 . . . . 38.81 114.082 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -65.37 -29.83 70.58 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 124.379 1.05 . . . . 12.94 111.936 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -92.23 -30.71 15.75 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.827 -1.149 . . . . 11.33 111.087 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.25 -31.83 11.51 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.42 1.637 . . . . 13.68 115.42 -164.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.84 -173.01 6.19 Favored Glycine 0 N--CA 1.493 2.484 0 CA-C-N 115.453 -0.794 . . . . 15.75 113.414 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -63.93 -22.84 68.44 Favored 'Trans proline' 0 C--N 1.367 1.527 0 C-N-CA 122.621 2.214 . . . . 19.87 113.215 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.307 16.1 p30 -89.17 -0.09 57.16 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.151 -1.82 . . . . 19.48 113.877 179.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.45 15.96 75.42 Favored Glycine 0 C--O 1.206 -1.653 0 N-CA-C 116.956 1.542 . . . . 11.36 116.956 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -137.87 142.44 40.7 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-O 122.377 1.084 . . . . 13.37 112.208 -173.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 tp -132.37 125.26 30.44 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 114.289 -1.323 . . . . 9.11 107.896 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -88.4 129.53 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 106.595 -1.631 . . . . 10.83 106.595 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.8 mt -115.22 116.69 53.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.018 0 CA-C-O 123.16 1.457 . . . . 9.62 107.756 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -86.47 123.64 31.91 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 117.74 -1.584 . . . . 20.41 110.256 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -147.36 117.62 7.35 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.754 -1.202 . . . . 19.47 107.754 -171.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.2 t0 54.66 42.93 30.9 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.806 1.316 . . . . 32.99 109.872 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.59 1.79 87.39 Favored Glycine 0 C--O 1.254 1.389 0 N-CA-C 116.661 1.424 . . . . 24.37 116.661 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 167.03 21.97 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 117.183 -1.807 . . . . 37.53 114.938 168.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.47 136.48 33.41 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 112.614 -2.085 . . . . 18.9 111.879 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -115.22 148.88 38.56 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 104.707 -2.331 . . . . 23.95 104.707 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 tp -109.01 125.52 52.16 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.166 -0.679 . . . . 9.07 109.166 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.32 129.85 50.45 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 104.463 -2.421 . . . . 11.26 104.463 167.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -140.93 158.33 44.09 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.974 1.102 . . . . 8.63 113.974 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -95.37 140.9 29.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.979 -1.488 . . . . 27.09 106.992 167.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.8 p -100.73 167.59 10.22 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 122.087 0.946 . . . . 11.96 111.19 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.67 -25.28 67.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.366 0.876 . . . . 35.91 113.366 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.71 3.54 40.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.556 0.742 . . . . 13.23 112.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.61 10.35 67.65 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 115.529 0.972 . . . . 13.56 115.529 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -95.31 157.81 15.73 Favored 'General case' 0 CA--C 1.507 -0.699 0 O-C-N 123.974 0.455 . . . . 36.52 111.715 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 mt -93.64 140.31 29.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.522 -1.288 . . . . 16.54 107.522 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.7 tp -140.59 130.98 25.21 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.624 -0.431 . . . . 15.55 109.909 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 tp -104.47 131.25 52.06 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.454 -0.943 . . . . 9.61 108.454 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -127.05 159.25 34.71 Favored 'General case' 0 C--O 1.273 2.31 0 O-C-N 123.897 0.748 . . . . 8.38 110.724 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 pttt . . . . . 0 C--O 1.19 -2.069 0 CA-C-N 114.998 -1.001 . . . . 32.13 108.896 -177.503 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 CA--C 1.545 1.034 0 CA-C-O 122.462 0.942 . . . . 20.33 112.774 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -115.74 164.13 18.55 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 113.556 -1.657 . . . . 32.26 110.431 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 158.97 20.67 Favored 'Trans proline' 0 C--O 1.273 2.261 0 CA-C-O 122.863 1.11 . . . . 14.23 111.369 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.95 -49.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.498 -1.228 . . . . 9.6 111.307 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 70.51 -52.88 0.66 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.08 2.152 . . . . 30.52 114.49 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -148.99 136.58 20.38 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.326 -0.99 . . . . 19.49 108.326 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 tt -155.4 152.18 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 O-C-N 124.369 1.043 . . . . 8.44 108.887 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.1 p -76.06 147.11 38.91 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 112.58 0.585 . . . . 10.32 112.58 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.9 p -61.05 -31.18 70.83 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.317 -1.353 . . . . 14.79 111.804 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.107 -1.037 . . . . 35.64 111.203 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 95.5 m -72.49 -41.5 65.91 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 108.558 -0.904 . . . . 14.05 108.558 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -68.09 -43.27 78.9 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.768 -1.207 . . . . 10.92 113.127 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -94.13 -17.0 23.24 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 115.415 1.635 . . . . 16.84 115.415 -172.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 -173.92 23.64 Favored Glycine 0 C--O 1.262 1.853 0 O-C-N 124.164 0.915 . . . . 17.04 114.694 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -67.54 -21.88 45.5 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 117.723 -1.051 . . . . 20.77 114.585 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -82.34 -14.02 55.98 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.684 0.754 . . . . 28.19 111.568 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.0 28.16 73.48 Favored Glycine 0 N--CA 1.484 1.868 0 N-CA-C 115.347 0.899 . . . . 15.56 115.347 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -140.68 141.04 35.04 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 123.337 0.655 . . . . 36.16 110.546 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 tp -145.3 126.51 14.76 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.322 1.014 . . . . 13.58 111.467 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -86.46 130.29 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.583 0 C-N-CA 117.586 -1.645 . . . . 26.9 108.3 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.7 mt -112.87 119.98 61.81 Favored 'Isoleucine or valine' 0 C--O 1.276 2.48 0 N-CA-C 106.303 -1.74 . . . . 13.61 106.303 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.74 110.59 21.93 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 121.013 0.435 . . . . 28.24 109.949 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -112.01 97.48 6.7 Favored 'General case' 0 C--O 1.189 -2.095 0 N-CA-C 106.361 -1.718 . . . . 19.47 106.361 -174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 55.66 38.09 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.344 1.068 . . . . 26.68 111.135 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.05 -3.27 85.78 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 115.541 0.976 . . . . 20.18 115.541 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -101.72 117.46 34.92 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 106.851 -1.537 . . . . 42.1 106.851 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -86.4 123.09 31.24 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.645 -0.872 . . . . 28.93 108.645 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -103.41 156.06 18.03 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.541 -1.652 . . . . 13.21 106.541 167.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 tp -114.37 129.78 56.66 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 109.435 -0.58 . . . . 16.26 109.435 170.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 tp -108.65 126.86 53.44 Favored 'General case' 0 C--O 1.269 2.115 0 N-CA-C 105.369 -2.085 . . . . 12.47 105.369 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -146.95 163.29 36.65 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 118.458 -1.297 . . . . 21.98 114.294 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -98.04 120.34 38.28 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 105.737 -1.949 . . . . 28.84 105.737 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 66.7 p -73.59 174.62 8.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 107.478 -1.304 . . . . 23.2 107.478 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.33 -25.32 66.77 Favored 'General case' 0 C--O 1.203 -1.357 0 C-N-CA 119.506 -0.877 . . . . 42.39 111.705 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -5.04 54.62 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 124.909 1.283 . . . . 25.1 113.656 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.29 10.21 61.07 Favored Glycine 1 N--CA 1.534 5.222 0 CA-C-O 122.671 1.15 . . . . 21.41 111.985 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -82.21 148.46 28.42 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.995 1.109 . . . . 37.17 113.995 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.75 131.81 41.63 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 119.098 -1.041 . . . . 16.92 112.255 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.22 137.63 29.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 116.287 -0.415 . . . . 24.66 110.538 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 tp -109.91 124.95 52.27 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.286 1.034 . . . . 15.23 109.979 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -135.48 163.7 29.47 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.022 -1.049 . . . . 18.85 111.688 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.32 -0.696 0 N-CA-C 107.166 -1.42 . . . . 39.08 107.166 179.436 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 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 build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.448 -1.161 0 N-CA-C 115.739 1.4 . . . . 28.09 115.739 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.51 134.63 29.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 CA-C-N 113.61 -1.632 . . . . 20.109999999999999 107.685 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 205' ' ' HOH . 0.0 OUTLIER -70.02 154.53 41.82 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 116.681 -2.008 . . . . 27.170000000000002 111.094 -178.783 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -116.96 137.77 52.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.535 1.147 . . . . 47.299999999999997 110.613 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.1 mt -134.41 144.43 35.15 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 N-CA-C 106.311 -1.737 . . . . 16.640000000000001 106.311 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -70.99 142.99 50.96 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.12 0.486 . . . . 15.44 110.358 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -57.67 -30.55 65.53 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 117.839 -1.077 . . . . 14.09 111.32 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.79 -39.42 77.47 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 114.082 1.142 . . . . 38.810000000000002 114.082 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -65.37 -29.83 70.58 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 124.379 1.05 . . . . 12.94 111.936 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -92.23 -30.71 15.75 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.827 -1.149 . . . . 11.33 111.087 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.25 -31.83 11.51 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.42 1.637 . . . . 13.68 115.42 -164.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.84 -173.01 6.19 Favored Glycine 0 N--CA 1.493 2.484 0 CA-C-N 115.453 -0.794 . . . . 15.75 113.414 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -63.93 -22.84 68.44 Favored 'Trans proline' 0 C--N 1.367 1.527 0 C-N-CA 122.621 2.214 . . . . 19.870000000000001 113.215 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.307 16.1 p30 -89.17 -0.09 57.16 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.151 -1.82 . . . . 19.48 113.877 179.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.45 15.96 75.42 Favored Glycine 0 C--O 1.206 -1.653 0 N-CA-C 116.956 1.542 . . . . 11.359999999999999 116.956 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -137.87 142.44 40.7 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-O 122.377 1.084 . . . . 13.369999999999999 112.208 -173.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 tp -132.37 125.26 30.44 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 114.289 -1.323 . . . . 9.1099999999999994 107.896 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -88.4 129.53 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 106.595 -1.631 . . . . 10.83 106.595 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.8 mt -115.22 116.69 53.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.018 0 CA-C-O 123.16 1.457 . . . . 9.6199999999999992 107.756 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -86.47 123.64 31.91 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 117.74 -1.584 . . . . 20.41 110.256 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -147.36 117.62 7.35 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.754 -1.202 . . . . 19.469999999999999 107.754 -171.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.2 t0 54.66 42.93 30.9 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.806 1.316 . . . . 32.990000000000002 109.872 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.59 1.79 87.39 Favored Glycine 0 C--O 1.254 1.389 0 N-CA-C 116.661 1.424 . . . . 24.370000000000001 116.661 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 167.03 21.97 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 117.183 -1.807 . . . . 37.530000000000001 114.938 168.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.47 136.48 33.41 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 112.614 -2.085 . . . . 18.899999999999999 111.879 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -115.22 148.88 38.56 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 104.707 -2.331 . . . . 23.949999999999999 104.707 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 tp -109.01 125.52 52.16 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.166 -0.679 . . . . 9.0700000000000003 109.166 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.32 129.85 50.45 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 104.463 -2.421 . . . . 11.26 104.463 167.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -140.93 158.33 44.09 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.974 1.102 . . . . 8.6300000000000008 113.974 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -95.37 140.9 29.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.979 -1.488 . . . . 27.09 106.992 167.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.8 p -100.73 167.59 10.22 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 122.087 0.946 . . . . 11.960000000000001 111.19 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.67 -25.28 67.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.366 0.876 . . . . 35.909999999999997 113.366 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.71 3.54 40.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.556 0.742 . . . . 13.23 112.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.61 10.35 67.65 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 115.529 0.972 . . . . 13.56 115.529 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -95.31 157.81 15.73 Favored 'General case' 0 CA--C 1.507 -0.699 0 O-C-N 123.974 0.455 . . . . 36.520000000000003 111.715 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 mt -93.64 140.31 29.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.522 -1.288 . . . . 16.539999999999999 107.522 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.7 tp -140.59 130.98 25.21 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.624 -0.431 . . . . 15.550000000000001 109.909 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 tp -104.47 131.25 52.06 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.454 -0.943 . . . . 9.6099999999999994 108.454 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -127.05 159.25 34.71 Favored 'General case' 0 C--O 1.273 2.31 0 O-C-N 123.897 0.748 . . . . 8.3800000000000008 110.724 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 pttt . . . . . 0 C--O 1.19 -2.069 0 CA-C-N 114.998 -1.001 . . . . 32.130000000000003 108.896 -177.503 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 CA--C 1.545 1.034 0 CA-C-O 122.462 0.942 . . . . 20.329999999999998 112.774 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -115.74 164.13 18.55 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 113.556 -1.657 . . . . 32.259999999999998 110.431 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 158.97 20.67 Favored 'Trans proline' 0 C--O 1.273 2.261 0 CA-C-O 122.863 1.11 . . . . 14.23 111.369 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.95 -49.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.498 -1.228 . . . . 9.5999999999999996 111.307 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 70.51 -52.88 0.66 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.08 2.152 . . . . 30.52 114.49 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -148.99 136.58 20.38 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.326 -0.99 . . . . 19.489999999999998 108.326 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 tt -155.4 152.18 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 O-C-N 124.369 1.043 . . . . 8.4399999999999995 108.887 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.1 p -76.06 147.11 38.91 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 112.58 0.585 . . . . 10.32 112.58 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.9 p -61.05 -31.18 70.83 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.317 -1.353 . . . . 14.789999999999999 111.804 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.107 -1.037 . . . . 35.640000000000001 111.203 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 95.5 m -72.49 -41.5 65.91 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 108.558 -0.904 . . . . 14.050000000000001 108.558 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -68.09 -43.27 78.9 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.768 -1.207 . . . . 10.92 113.127 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -94.13 -17.0 23.24 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 115.415 1.635 . . . . 16.84 115.415 -172.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 -173.92 23.64 Favored Glycine 0 C--O 1.262 1.853 0 O-C-N 124.164 0.915 . . . . 17.039999999999999 114.694 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -67.54 -21.88 45.5 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 117.723 -1.051 . . . . 20.77 114.585 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -82.34 -14.02 55.98 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.684 0.754 . . . . 28.190000000000001 111.568 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.0 28.16 73.48 Favored Glycine 0 N--CA 1.484 1.868 0 N-CA-C 115.347 0.899 . . . . 15.56 115.347 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -140.68 141.04 35.04 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 123.337 0.655 . . . . 36.159999999999997 110.546 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 tp -145.3 126.51 14.76 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.322 1.014 . . . . 13.58 111.467 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -86.46 130.29 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.583 0 C-N-CA 117.586 -1.645 . . . . 26.899999999999999 108.3 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.7 mt -112.87 119.98 61.81 Favored 'Isoleucine or valine' 0 C--O 1.276 2.48 0 N-CA-C 106.303 -1.74 . . . . 13.609999999999999 106.303 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.74 110.59 21.93 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 121.013 0.435 . . . . 28.239999999999998 109.949 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -112.01 97.48 6.7 Favored 'General case' 0 C--O 1.189 -2.095 0 N-CA-C 106.361 -1.718 . . . . 19.469999999999999 106.361 -174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 55.66 38.09 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.344 1.068 . . . . 26.68 111.135 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.05 -3.27 85.78 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 115.541 0.976 . . . . 20.18 115.541 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -101.72 117.46 34.92 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 106.851 -1.537 . . . . 42.100000000000001 106.851 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -86.4 123.09 31.24 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.645 -0.872 . . . . 28.93 108.645 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -103.41 156.06 18.03 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.541 -1.652 . . . . 13.210000000000001 106.541 167.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 tp -114.37 129.78 56.66 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 109.435 -0.58 . . . . 16.260000000000002 109.435 170.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 tp -108.65 126.86 53.44 Favored 'General case' 0 C--O 1.269 2.115 0 N-CA-C 105.369 -2.085 . . . . 12.470000000000001 105.369 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -146.95 163.29 36.65 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 118.458 -1.297 . . . . 21.98 114.294 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -98.04 120.34 38.28 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 105.737 -1.949 . . . . 28.84 105.737 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 66.7 p -73.59 174.62 8.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 107.478 -1.304 . . . . 23.199999999999999 107.478 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.33 -25.32 66.77 Favored 'General case' 0 C--O 1.203 -1.357 0 C-N-CA 119.506 -0.877 . . . . 42.390000000000001 111.705 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -5.04 54.62 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 124.909 1.283 . . . . 25.100000000000001 113.656 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.29 10.21 61.07 Favored Glycine 1 N--CA 1.534 5.222 0 CA-C-O 122.671 1.15 . . . . 21.41 111.985 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -82.21 148.46 28.42 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.995 1.109 . . . . 37.170000000000002 113.995 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.75 131.81 41.63 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 119.098 -1.041 . . . . 16.920000000000002 112.255 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.22 137.63 29.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 116.287 -0.415 . . . . 24.66 110.538 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 tp -109.91 124.95 52.27 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.286 1.034 . . . . 15.23 109.979 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -135.48 163.7 29.47 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.022 -1.049 . . . . 18.850000000000001 111.688 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.32 -0.696 0 N-CA-C 107.166 -1.42 . . . . 39.079999999999998 107.166 179.436 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.485 ' O ' ' HD3' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo . . . . . 0 N--CA 1.448 -1.161 0 N-CA-C 115.739 1.4 . . . . 28.09 115.739 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.51 134.63 29.88 Favored 'Isoleucine or valine' 0 C--O 1.264 1.852 0 CA-C-N 113.61 -1.632 . . . . 20.109999999999999 107.685 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 205' ' ' HOH . 0.0 OUTLIER -70.02 154.53 41.82 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 116.681 -2.008 . . . . 27.170000000000002 111.094 -178.783 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -116.96 137.77 52.0 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.535 1.147 . . . . 47.299999999999997 110.613 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.1 mt -134.41 144.43 35.15 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 N-CA-C 106.311 -1.737 . . . . 16.640000000000001 106.311 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 p -70.99 142.99 50.96 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.12 0.486 . . . . 15.44 110.358 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.0 p -57.67 -30.55 65.53 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 117.839 -1.077 . . . . 14.09 111.32 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.79 -39.42 77.47 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 114.082 1.142 . . . . 38.810000000000002 114.082 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.7 m -65.37 -29.83 70.58 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 124.379 1.05 . . . . 12.94 111.936 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt -92.23 -30.71 15.75 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 118.827 -1.149 . . . . 11.33 111.087 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.25 -31.83 11.51 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 115.42 1.637 . . . . 13.68 115.42 -164.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.84 -173.01 6.19 Favored Glycine 0 N--CA 1.493 2.484 0 CA-C-N 115.453 -0.794 . . . . 15.75 113.414 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -63.93 -22.84 68.44 Favored 'Trans proline' 0 C--N 1.367 1.527 0 C-N-CA 122.621 2.214 . . . . 19.870000000000001 113.215 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.307 16.1 p30 -89.17 -0.09 57.16 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 117.151 -1.82 . . . . 19.48 113.877 179.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.45 15.96 75.42 Favored Glycine 0 C--O 1.206 -1.653 0 N-CA-C 116.956 1.542 . . . . 11.359999999999999 116.956 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -137.87 142.44 40.7 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-O 122.377 1.084 . . . . 13.369999999999999 112.208 -173.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 tp -132.37 125.26 30.44 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-N 114.289 -1.323 . . . . 9.1099999999999994 107.896 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -88.4 129.53 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 106.595 -1.631 . . . . 10.83 106.595 172.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.8 mt -115.22 116.69 53.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.018 0 CA-C-O 123.16 1.457 . . . . 9.6199999999999992 107.756 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -86.47 123.64 31.91 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 117.74 -1.584 . . . . 20.41 110.256 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -147.36 117.62 7.35 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 107.754 -1.202 . . . . 19.469999999999999 107.754 -171.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.2 t0 54.66 42.93 30.9 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.806 1.316 . . . . 32.990000000000002 109.872 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.59 1.79 87.39 Favored Glycine 0 C--O 1.254 1.389 0 N-CA-C 116.661 1.424 . . . . 24.370000000000001 116.661 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.97 167.03 21.97 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 117.183 -1.807 . . . . 37.530000000000001 114.938 168.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.47 136.48 33.41 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 112.614 -2.085 . . . . 18.899999999999999 111.879 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -115.22 148.88 38.56 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 104.707 -2.331 . . . . 23.949999999999999 104.707 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 tp -109.01 125.52 52.16 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.166 -0.679 . . . . 9.0700000000000003 109.166 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -103.32 129.85 50.45 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 104.463 -2.421 . . . . 11.26 104.463 167.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -140.93 158.33 44.09 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.974 1.102 . . . . 8.6300000000000008 113.974 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -95.37 140.9 29.59 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 117.979 -1.488 . . . . 27.09 106.992 167.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.8 p -100.73 167.59 10.22 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 122.087 0.946 . . . . 11.960000000000001 111.19 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.67 -25.28 67.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.366 0.876 . . . . 35.909999999999997 113.366 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.71 3.54 40.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.556 0.742 . . . . 13.23 112.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.61 10.35 67.65 Favored Glycine 0 N--CA 1.481 1.663 0 N-CA-C 115.529 0.972 . . . . 13.56 115.529 173.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -95.31 157.81 15.73 Favored 'General case' 0 CA--C 1.507 -0.699 0 O-C-N 123.974 0.455 . . . . 36.520000000000003 111.715 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 mt -93.64 140.31 29.78 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 107.522 -1.288 . . . . 16.539999999999999 107.522 165.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.7 tp -140.59 130.98 25.21 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.624 -0.431 . . . . 15.550000000000001 109.909 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 tp -104.47 131.25 52.06 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.454 -0.943 . . . . 9.6099999999999994 108.454 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.2 p -127.05 159.25 34.71 Favored 'General case' 0 C--O 1.273 2.31 0 O-C-N 123.897 0.748 . . . . 8.3800000000000008 110.724 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.2 pttt . . . . . 0 C--O 1.19 -2.069 0 CA-C-N 114.998 -1.001 . . . . 32.130000000000003 108.896 -177.503 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 CA--C 1.545 1.034 0 CA-C-O 122.462 0.942 . . . . 20.329999999999998 112.774 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -115.74 164.13 18.55 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 113.556 -1.657 . . . . 32.259999999999998 110.431 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.32 158.97 20.67 Favored 'Trans proline' 0 C--O 1.273 2.261 0 CA-C-O 122.863 1.11 . . . . 14.23 111.369 169.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.95 -49.24 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.498 -1.228 . . . . 9.5999999999999996 111.307 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 70.51 -52.88 0.66 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.08 2.152 . . . . 30.52 114.49 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -148.99 136.58 20.38 Favored 'General case' 0 C--O 1.264 1.848 0 N-CA-C 108.326 -0.99 . . . . 19.489999999999998 108.326 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 16.3 tt -155.4 152.18 9.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.263 0 O-C-N 124.369 1.043 . . . . 8.4399999999999995 108.887 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.1 p -76.06 147.11 38.91 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 112.58 0.585 . . . . 10.32 112.58 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.9 p -61.05 -31.18 70.83 Favored 'General case' 0 C--O 1.249 1.063 0 C-N-CA 118.317 -1.353 . . . . 14.789999999999999 111.804 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 119.107 -1.037 . . . . 35.640000000000001 111.203 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 95.5 m -72.49 -41.5 65.91 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 108.558 -0.904 . . . . 14.050000000000001 108.558 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -68.09 -43.27 78.9 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 120.768 -1.207 . . . . 10.92 113.127 -173.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -94.13 -17.0 23.24 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 115.415 1.635 . . . . 16.84 115.415 -172.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 -173.92 23.64 Favored Glycine 0 C--O 1.262 1.853 0 O-C-N 124.164 0.915 . . . . 17.039999999999999 114.694 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -67.54 -21.88 45.5 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 117.723 -1.051 . . . . 20.77 114.585 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -82.34 -14.02 55.98 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-O 121.684 0.754 . . . . 28.190000000000001 111.568 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.0 28.16 73.48 Favored Glycine 0 N--CA 1.484 1.868 0 N-CA-C 115.347 0.899 . . . . 15.56 115.347 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -140.68 141.04 35.04 Favored 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 123.337 0.655 . . . . 36.159999999999997 110.546 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 tp -145.3 126.51 14.76 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 124.322 1.014 . . . . 13.58 111.467 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mm -86.46 130.29 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.583 0 C-N-CA 117.586 -1.645 . . . . 26.899999999999999 108.3 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.7 mt -112.87 119.98 61.81 Favored 'Isoleucine or valine' 0 C--O 1.276 2.48 0 N-CA-C 106.303 -1.74 . . . . 13.609999999999999 106.303 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -91.74 110.59 21.93 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-O 121.013 0.435 . . . . 28.239999999999998 109.949 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -112.01 97.48 6.7 Favored 'General case' 0 C--O 1.189 -2.095 0 N-CA-C 106.361 -1.718 . . . . 19.469999999999999 106.361 -174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 55.66 38.09 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.344 1.068 . . . . 26.68 111.135 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.05 -3.27 85.78 Favored Glycine 0 N--CA 1.486 1.988 0 N-CA-C 115.541 0.976 . . . . 20.18 115.541 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -101.72 117.46 34.92 Favored 'General case' 0 C--O 1.258 1.541 0 N-CA-C 106.851 -1.537 . . . . 42.100000000000001 106.851 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -86.4 123.09 31.24 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.645 -0.872 . . . . 28.93 108.645 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -103.41 156.06 18.03 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 106.541 -1.652 . . . . 13.210000000000001 106.541 167.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.7 tp -114.37 129.78 56.66 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 109.435 -0.58 . . . . 16.260000000000002 109.435 170.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 tp -108.65 126.86 53.44 Favored 'General case' 0 C--O 1.269 2.115 0 N-CA-C 105.369 -2.085 . . . . 12.470000000000001 105.369 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -146.95 163.29 36.65 Favored 'General case' 0 C--O 1.253 1.284 0 C-N-CA 118.458 -1.297 . . . . 21.98 114.294 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -98.04 120.34 38.28 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 105.737 -1.949 . . . . 28.84 105.737 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 66.7 p -73.59 174.62 8.04 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 107.478 -1.304 . . . . 23.199999999999999 107.478 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.33 -25.32 66.77 Favored 'General case' 0 C--O 1.203 -1.357 0 C-N-CA 119.506 -0.877 . . . . 42.390000000000001 111.705 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -5.04 54.62 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 124.909 1.283 . . . . 25.100000000000001 113.656 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.29 10.21 61.07 Favored Glycine 1 N--CA 1.534 5.222 0 CA-C-O 122.671 1.15 . . . . 21.41 111.985 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -82.21 148.46 28.42 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.995 1.109 . . . . 37.170000000000002 113.995 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.75 131.81 41.63 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 119.098 -1.041 . . . . 16.920000000000002 112.255 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.22 137.63 29.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 116.287 -0.415 . . . . 24.66 110.538 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 30.9 tp -109.91 124.95 52.27 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 124.286 1.034 . . . . 15.23 109.979 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.7 p -135.48 163.7 29.47 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 121.022 -1.049 . . . . 18.850000000000001 111.688 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.32 -0.696 0 N-CA-C 107.166 -1.42 . . . . 39.079999999999998 107.166 179.436 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.485 ' O ' ' HD3' ' A' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 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 stop_ save_