data_3wim_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 3wim _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.367 0.877 . . . . 45.200000000000003 113.367 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -44.2 140.75 2.04 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.865 0.691 . . . . 47.700000000000003 112.865 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.76 135.81 48.89 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.914 -0.585 . . . . 36.490000000000002 109.521 168.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.86 -44.89 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 32.100000000000001 110.101 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -56.49 -47.6 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.526 0.565 . . . . 35.0 112.526 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -60.31 -40.13 89.46 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.216 0.821 . . . . 29.859999999999999 113.216 171.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -62.04 -37.44 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.859 0.318 . . . . 44.979999999999997 111.859 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.66 -4.36 17.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 117.21 2.3 . . . . 39.170000000000002 117.21 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.56 120.12 34.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 22.829999999999998 109.069 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.19 137.32 74.42 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.665 2.243 . . . . 16.289999999999999 112.923 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -40.91 -57.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.058 1.133 . . . . 17.91 114.058 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 40.159999999999997 109.936 -167.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -75.11 -35.13 61.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.461 0.912 . . . . 38.909999999999997 113.461 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -62.25 -37.52 85.77 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.763 -0.775 . . . . 15.99 111.347 169.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -69.84 -44.32 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.057 1.132 . . . . 27.02 114.057 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.822 -0.751 . . . . 17.16 110.004 176.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.01 -45.61 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.348 -0.941 . . . . 22.640000000000001 111.044 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.43 98.68 Favored Glycine 0 C--N 1.332 0.345 0 O-C-N 123.462 0.476 . . . . 14.369999999999999 113.12 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -61.62 -48.5 80.59 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.969 0.414 . . . . 18.98 111.936 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -56.77 -42.57 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.594 -0.443 . . . . 35.409999999999997 111.734 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -78.04 -32.74 17.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.967 0.413 . . . . 12.880000000000001 111.838 -169.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.88 -45.67 93.67 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.283 -0.417 . . . . 17.949999999999999 111.718 168.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -68.15 -30.59 69.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.209 0.528 . . . . 20.890000000000001 111.61 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -89.97 -44.07 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.893 0.701 . . . . 17.579999999999998 112.893 -171.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -122.93 78.97 50.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.691 -0.485 . . . . 20.550000000000001 109.691 172.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.3 -31.83 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 124.072 3.182 . . . . 24.91 115.598 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -81.98 -1.31 47.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.193 0.52 . . . . 35.280000000000001 112.24 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -113.74 164.36 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.749 0.785 . . . . 20.84 112.635 167.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.69 131.7 24.35 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 105.892 -1.892 . . . . 16.809999999999999 105.892 -171.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.08 124.54 5.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.056 1.837 . . . . 8.6600000000000001 113.231 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.67 126.93 63.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.312 -0.404 . . . . 6.9199999999999999 110.646 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mm -91.77 123.5 43.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.301 -0.863 . . . . 7.3700000000000001 109.732 166.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -124.83 119.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.835 -0.62 . . . . 10.93 109.66 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -132.49 146.62 52.07 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.922 0.764 . . . . 29.18 112.44 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -66.2 137.38 56.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.159 -0.682 . . . . 19.0 109.159 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.56 138.87 97.59 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 20.91 111.279 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -44.87 137.69 9.08 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 118.371 -0.619 . . . . 25.120000000000001 111.044 168.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 208' ' ' HOH . 5.3 mttt 68.53 4.16 4.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.564 1.32 . . . . 38.130000000000003 114.564 174.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 136.99 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.817 -1.549 . . . . 21.07 106.817 164.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -5.77 31.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 21.91 110.165 -171.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 pt -88.51 176.64 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 113.418 0.896 . . . . 21.649999999999999 113.418 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.66 143.76 22.92 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 116.674 1.43 . . . . 27.09 116.674 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.46 150.39 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.273 -1.01 . . . . 40.329999999999998 108.273 174.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mt -86.08 138.83 31.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.404 0.89 . . . . 30.34 113.404 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -70.33 0.11 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.353 -0.84 . . . . 45.32 113.255 171.572 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.59 169.54 9.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.99 0.516 . . . . 42.329999999999998 109.622 176.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -120.32 -8.48 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.861 1.8 . . . . 28.649999999999999 115.861 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -101.71 123.09 45.12 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.704 0.631 . . . . 19.120000000000001 112.704 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -132.08 134.93 46.05 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.831 -0.622 . . . . 13.56 110.44 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.58 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.492 -0.929 . . . . 12.68 108.492 173.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.8 136.77 20.7 Favored Pre-proline 0 N--CA 1.465 0.316 0 CA-C-N 116.194 -0.457 . . . . 14.779999999999999 111.222 -165.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 129.01 32.09 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.759 1.639 . . . . 13.199999999999999 110.966 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 m -52.78 -28.17 21.24 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.844 1.053 . . . . 13.859999999999999 113.844 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -101.68 1.55 37.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.363 0.505 . . . . 28.52 112.363 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -63.66 133.27 53.35 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.494 0.188 . . . . 14.35 110.675 165.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -76.46 150.67 36.65 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.077 -0.51 . . . . 10.56 110.612 172.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.0 -45.65 16.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.516 -0.55 . . . . 12.289999999999999 109.516 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -50.23 -51.48 30.85 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.598 -0.601 . . . . 14.619999999999999 111.598 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -68.68 -31.02 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.026 -0.269 . . . . 19.219999999999999 110.437 -174.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -70.83 -26.15 63.16 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.446 0.466 . . . . 11.84 110.855 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -59.95 -49.72 76.56 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.823 -0.436 . . . . 15.119999999999999 109.823 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -59.65 -40.82 88.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 30.559999999999999 112.216 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.04 -45.26 74.42 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.781 0.66 . . . . 17.710000000000001 112.781 -178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.01 -46.17 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.709 -0.396 . . . . 15.42 111.932 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -42.81 -51.35 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.077 0.465 . . . . 18.600000000000001 111.472 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -22.13 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 35.659999999999997 112.668 -176.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -81.22 -25.11 36.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.07 0.462 . . . . 33.25 111.439 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.74 2.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.905 -0.718 . . . . 29.18 111.469 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.3 m80 55.89 55.03 7.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 43.840000000000003 109.673 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 146.47 53.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 30.949999999999999 110.837 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -69.84 146.89 50.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.127 -0.629 . . . . 31.210000000000001 110.348 164.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.67 -44.39 4.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.945 -0.571 . . . . 30.23 111.032 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -12.87 57.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.711 0.634 . . . . 44.890000000000001 112.711 -171.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.54 140.4 56.98 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.28 0.562 . . . . 24.359999999999999 111.967 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.12 156.77 16.51 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.186 -0.915 . . . . 17.52 111.294 174.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 tp -137.77 124.96 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.529 -0.759 . . . . 13.93 109.26 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.21 151.9 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.369 -0.604 . . . . 11.390000000000001 109.369 174.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.68 152.76 28.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.824 -0.806 . . . . 10.859999999999999 108.824 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -140.55 122.06 15.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.205 -0.665 . . . . 12.69 109.205 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.88 120.02 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.542 -1.208 . . . . 17.25 107.904 166.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 53.41 45.86 27.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.51 0.929 . . . . 32.299999999999997 113.51 -175.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 74.36 -1.41 3.09 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.953 1.464 . . . . 27.82 114.953 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.05 142.21 40.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.251 -1.018 . . . . 20.440000000000001 108.251 -170.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.86 125.09 88.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 O-C-N 123.192 0.308 . . . . 15.31 111.535 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.04 141.96 24.3 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 121.545 1.497 . . . . 12.32 110.068 166.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -73.24 144.45 37.18 Favored 'Trans proline' 0 C--N 1.343 0.275 0 O-C-N 122.845 0.918 . . . . 10.19 111.091 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -49.76 -20.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.378 . . . . 13.43 111.848 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -97.55 9.12 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.709 0.633 . . . . 10.67 112.709 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.99 151.05 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.759 -0.46 . . . . 9.3599999999999994 109.759 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 p -80.14 157.23 26.68 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.62 -0.882 . . . . 11.970000000000001 108.62 170.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.55 -27.52 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 12.66 111.432 172.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.95 -45.87 70.42 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 116.44 -0.346 . . . . 13.470000000000001 113.56 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.66 -43.75 97.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.559 0.578 . . . . 29.09 112.559 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.46 -44.79 96.48 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.675 -1.232 . . . . 19.739999999999998 107.675 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -58.15 -43.14 87.2 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.35 0.87 . . . . 15.640000000000001 113.35 175.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.65 -47.67 77.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.996 0.427 . . . . 31.57 109.919 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.94 -34.52 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.151 -0.931 . . . . 38.899999999999999 110.617 -175.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -120.72 -5.96 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 118.048 2.61 . . . . 18.48 118.048 -161.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -61.62 151.06 34.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.994 0.426 . . . . 11.6 111.3 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -98.47 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 15.4 111.272 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.33 -6.06 6.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.096 1.147 . . . . 25.359999999999999 114.096 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -95.72 7.22 46.92 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.648 0.61 . . . . 13.960000000000001 112.648 170.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 74.13 8.22 4.69 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 114.741 1.385 . . . . 11.85 114.741 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.86 151.81 19.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.666 -0.414 . . . . 17.920000000000002 111.421 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -103.49 134.18 47.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.232 -1.025 . . . . 11.1 108.232 166.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -114.33 122.53 46.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 112.357 0.503 . . . . 10.44 112.357 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.74 128.02 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 12.869999999999999 110.191 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.82 144.16 33.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.469 0.652 . . . . 12.369999999999999 111.133 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -120.55 155.42 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.492 -0.883 . . . . 16.969999999999999 111.316 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.2 t -150.3 170.06 19.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 14.18 111.709 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -95.86 -0.29 51.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.791 0.663 . . . . 19.390000000000001 112.791 162.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -106.32 144.02 33.61 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 114.707 1.373 . . . . 28.670000000000002 114.707 170.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.0 p -75.64 5.02 6.63 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.31 -0.859 . . . . 26.140000000000001 109.502 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 44.7 t -133.58 128.12 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.439 -0.8 . . . . 30.210000000000001 109.314 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' N ' ' O ' ' A' ' 203' ' ' HOH . 28.8 t80 -71.84 122.59 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.555 -0.535 . . . . 36.090000000000003 109.555 163.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -137.17 96.68 0.24 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.04 -1.224 . . . . 40.359999999999999 110.04 -5.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.176 0.513 . . . . 42.329999999999998 111.117 -174.337 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3341 ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.879 1.066 . . . . 36.75 113.879 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3342 ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' B' 3342 ' ' GLU . 0.0 OUTLIER -109.92 94.85 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 35.409999999999997 111.835 -178.568 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 3343 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.06 143.94 51.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.367 1.247 . . . . 40.090000000000003 114.367 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 3344 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 65.79 18.73 11.23 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.622 0.971 . . . . 25.370000000000001 113.622 -173.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3345 ' ' GLY . . . . . . . . . . . . . . . 82.21 13.28 79.3 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 115.088 0.795 . . . . 17.050000000000001 115.088 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3346 ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.05 137.66 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.154 -1.054 . . . . 13.77 108.154 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3347 ' ' ILE . . . . . . . . . . . . . 42.0 mm -73.33 115.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.761 -1.2 . . . . 16.390000000000001 107.761 166.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3348 ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -75.26 92.37 2.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.401 -0.818 . . . . 23.949999999999999 110.187 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3349 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.08 119.74 19.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.032 -0.531 . . . . 28.43 110.747 -174.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 3350 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -101.05 155.11 18.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.619 0.599 . . . . 42.060000000000002 112.619 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3351 ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' B' 3352 ' ' SER . 58.5 m-85 -51.36 -41.45 60.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.143 -0.48 . . . . 38.43 111.572 178.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 3352 ' ' SER . . . . . 0.481 ' CB ' ' O ' ' B' 3351 ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.026 -0.533 . . . . 43.359999999999999 112.058 144.823 . . . . . . . . 2 2 . 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 . . . . . 0.563 ' O ' ' N ' ' A' ' 115' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B 3401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 82' ' ' ASN . 2.2 ptp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.367 0.877 . . . . 45.200000000000003 113.367 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -44.2 140.75 2.04 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.865 0.691 . . . . 47.700000000000003 112.865 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 38.1 m-85 -129.76 135.81 48.89 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.914 -0.585 . . . . 36.490000000000002 109.521 168.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.86 -44.89 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 32.100000000000001 110.101 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . 0.495 ' CE1' ' HD2' ' A' ' 48' ' ' LYS . 51.6 t80 -56.49 -47.6 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.526 0.565 . . . . 35.0 112.526 -177.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -60.31 -40.13 89.46 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.216 0.821 . . . . 29.859999999999999 113.216 171.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 74.6 mm-40 -62.04 -37.44 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.859 0.318 . . . . 44.979999999999997 111.859 179.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.66 -4.36 17.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 117.21 2.3 . . . . 39.170000000000002 117.21 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.56 120.12 34.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 22.829999999999998 109.069 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.19 137.32 74.42 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.665 2.243 . . . . 16.289999999999999 112.923 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -40.91 -57.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.058 1.133 . . . . 17.91 114.058 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 40.159999999999997 109.936 -167.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -75.11 -35.13 61.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.461 0.912 . . . . 38.909999999999997 113.461 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -62.25 -37.52 85.77 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.763 -0.775 . . . . 15.99 111.347 169.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -69.84 -44.32 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.057 1.132 . . . . 27.02 114.057 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.91 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.822 -0.751 . . . . 17.16 110.004 176.349 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.01 -45.61 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.348 -0.941 . . . . 22.640000000000001 111.044 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.43 98.68 Favored Glycine 0 C--N 1.332 0.345 0 O-C-N 123.462 0.476 . . . . 14.369999999999999 113.12 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HE2' ' A' ' 23' ' ' LYS . 74.9 tt0 -61.62 -48.5 80.59 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.969 0.414 . . . . 18.98 111.936 175.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' SER . 13.9 mtpt -56.77 -42.57 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.594 -0.443 . . . . 35.409999999999997 111.734 178.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -78.04 -32.74 17.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.967 0.413 . . . . 12.880000000000001 111.838 -169.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.88 -45.67 93.67 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.283 -0.417 . . . . 17.949999999999999 111.718 168.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HE2' ' HG2' ' A' ' 19' ' ' GLU . 7.1 mttm -68.15 -30.59 69.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.209 0.528 . . . . 20.890000000000001 111.61 -179.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -89.97 -44.07 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.893 0.701 . . . . 17.579999999999998 112.893 -171.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -122.93 78.97 50.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.691 -0.485 . . . . 20.550000000000001 109.691 172.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.3 -31.83 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 124.072 3.182 . . . . 24.91 115.598 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -81.98 -1.31 47.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.193 0.52 . . . . 35.280000000000001 112.24 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -113.74 164.36 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.749 0.785 . . . . 20.84 112.635 167.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -122.69 131.7 24.35 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 105.892 -1.892 . . . . 16.809999999999999 105.892 -171.373 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.08 124.54 5.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.056 1.837 . . . . 8.6600000000000001 113.231 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 51' ' ' VAL . 39.6 t -129.67 126.93 63.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.312 -0.404 . . . . 6.9199999999999999 110.646 -174.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mm -91.77 123.5 43.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.301 -0.863 . . . . 7.3700000000000001 109.732 166.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -124.83 119.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.835 -0.62 . . . . 10.93 109.66 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -132.49 146.62 52.07 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.922 0.764 . . . . 29.18 112.44 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' A' ' 41' ' ' ILE . 13.7 ttpp -66.2 137.38 56.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.159 -0.682 . . . . 19.0 109.159 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.56 138.87 97.59 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 20.91 111.279 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -44.87 137.69 9.08 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 118.371 -0.619 . . . . 25.120000000000001 111.044 168.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mttt 68.53 4.16 4.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.564 1.32 . . . . 38.130000000000003 114.564 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 136.99 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.817 -1.549 . . . . 21.07 106.817 164.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -5.77 31.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 21.91 110.165 -171.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 31.6 pt -88.51 176.64 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 113.418 0.896 . . . . 21.649999999999999 113.418 -176.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.66 143.76 22.92 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 116.674 1.43 . . . . 27.09 116.674 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.46 150.39 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.273 -1.01 . . . . 40.329999999999998 108.273 174.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mt -86.08 138.83 31.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.404 0.89 . . . . 30.34 113.404 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -70.33 0.11 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.353 -0.84 . . . . 45.32 113.255 171.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' B' 3347 ' ' ILE . 0.2 OUTLIER -116.59 169.54 9.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.99 0.516 . . . . 42.329999999999998 109.622 176.813 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -120.32 -8.48 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.861 1.8 . . . . 28.649999999999999 115.861 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 5' ' ' TYR . 4.4 mtpp -101.71 123.09 45.12 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.704 0.631 . . . . 19.120000000000001 112.704 178.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -132.08 134.93 46.05 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.831 -0.622 . . . . 13.56 110.44 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.58 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.492 -0.929 . . . . 12.68 108.492 173.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 31' ' ' VAL . 1.9 m -110.8 136.77 20.7 Favored Pre-proline 0 N--CA 1.465 0.316 0 CA-C-N 116.194 -0.457 . . . . 14.779999999999999 111.222 -165.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 129.01 32.09 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.759 1.639 . . . . 13.199999999999999 110.966 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 m -52.78 -28.17 21.24 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.844 1.053 . . . . 13.859999999999999 113.844 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -101.68 1.55 37.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.363 0.505 . . . . 28.52 112.363 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 63' ' ' LEU . 8.9 tp -63.66 133.27 53.35 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.494 0.188 . . . . 14.35 110.675 165.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -76.46 150.67 36.65 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.077 -0.51 . . . . 10.56 110.612 172.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.0 -45.65 16.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.516 -0.55 . . . . 12.289999999999999 109.516 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -50.23 -51.48 30.85 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.598 -0.601 . . . . 14.619999999999999 111.598 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -68.68 -31.02 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.026 -0.269 . . . . 19.219999999999999 110.437 -174.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -70.83 -26.15 63.16 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.446 0.466 . . . . 11.84 110.855 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -59.95 -49.72 76.56 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.823 -0.436 . . . . 15.119999999999999 109.823 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 66' ' ' LYS . 77.0 t80 -59.65 -40.82 88.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 30.559999999999999 112.216 -179.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 55' ' ' LEU . 11.4 mt -68.04 -45.26 74.42 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.781 0.66 . . . . 17.710000000000001 112.781 -178.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.01 -46.17 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.709 -0.396 . . . . 15.42 111.932 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -42.81 -51.35 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.077 0.465 . . . . 18.600000000000001 111.472 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -69.88 -22.13 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 35.659999999999997 112.668 -176.29 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -81.22 -25.11 36.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.07 0.462 . . . . 33.25 111.439 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.74 2.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.905 -0.718 . . . . 29.18 111.469 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.3 m80 55.89 55.03 7.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 43.840000000000003 109.673 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 146.47 53.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 30.949999999999999 110.837 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -69.84 146.89 50.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.127 -0.629 . . . . 31.210000000000001 110.348 164.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.67 -44.39 4.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.945 -0.571 . . . . 30.23 111.032 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -12.87 57.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.711 0.634 . . . . 44.890000000000001 112.711 -171.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.54 140.4 56.98 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.28 0.562 . . . . 24.359999999999999 111.967 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.12 156.77 16.51 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.186 -0.915 . . . . 17.52 111.294 174.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 tp -137.77 124.96 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.529 -0.759 . . . . 13.93 109.26 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.21 151.9 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.369 -0.604 . . . . 11.390000000000001 109.369 174.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.68 152.76 28.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.824 -0.806 . . . . 10.859999999999999 108.824 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -140.55 122.06 15.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.205 -0.665 . . . . 12.69 109.205 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.88 120.02 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.542 -1.208 . . . . 17.25 107.904 166.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 82' ' ' ASN . 90.9 m-20 53.41 45.86 27.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.51 0.929 . . . . 32.299999999999997 113.51 -175.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' ASN . 29.5 m-80 74.36 -1.41 3.09 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.953 1.464 . . . . 27.82 114.953 178.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.05 142.21 40.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.251 -1.018 . . . . 20.440000000000001 108.251 -170.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.86 125.09 88.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 O-C-N 123.192 0.308 . . . . 15.31 111.535 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.04 141.96 24.3 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 121.545 1.497 . . . . 12.32 110.068 166.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -73.24 144.45 37.18 Favored 'Trans proline' 0 C--N 1.343 0.275 0 O-C-N 122.845 0.918 . . . . 10.19 111.091 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -49.76 -20.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.378 . . . . 13.43 111.848 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -97.55 9.12 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.709 0.633 . . . . 10.67 112.709 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.99 151.05 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.759 -0.46 . . . . 9.3599999999999994 109.759 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 p -80.14 157.23 26.68 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.62 -0.882 . . . . 11.970000000000001 108.62 170.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.55 -27.52 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 12.66 111.432 172.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.95 -45.87 70.42 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 116.44 -0.346 . . . . 13.470000000000001 113.56 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 2.1 mt-30 -60.66 -43.75 97.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.559 0.578 . . . . 29.09 112.559 172.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.46 -44.79 96.48 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.675 -1.232 . . . . 19.739999999999998 107.675 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' TYR . . . . . 0.433 ' CD2' HG13 ' A' ' 29' ' ' VAL . 63.5 t80 -58.15 -43.14 87.2 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.35 0.87 . . . . 15.640000000000001 113.35 175.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.65 -47.67 77.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.996 0.427 . . . . 31.57 109.919 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 93' ' ' GLN . 36.1 mt-10 -72.94 -34.52 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.151 -0.931 . . . . 38.899999999999999 110.617 -175.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -120.72 -5.96 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 118.048 2.61 . . . . 18.48 118.048 -161.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -61.62 151.06 34.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.994 0.426 . . . . 11.6 111.3 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -98.47 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 15.4 111.272 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.33 -6.06 6.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.096 1.147 . . . . 25.359999999999999 114.096 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -95.72 7.22 46.92 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.648 0.61 . . . . 13.960000000000001 112.648 170.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 74.13 8.22 4.69 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 114.741 1.385 . . . . 11.85 114.741 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.86 151.81 19.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.666 -0.414 . . . . 17.920000000000002 111.421 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -103.49 134.18 47.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.232 -1.025 . . . . 11.1 108.232 166.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -114.33 122.53 46.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 112.357 0.503 . . . . 10.44 112.357 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.74 128.02 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 12.869999999999999 110.191 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.82 144.16 33.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.469 0.652 . . . . 12.369999999999999 111.133 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -120.55 155.42 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.492 -0.883 . . . . 16.969999999999999 111.316 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.2 t -150.3 170.06 19.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 14.18 111.709 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -95.86 -0.29 51.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.791 0.663 . . . . 19.390000000000001 112.791 162.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -106.32 144.02 33.61 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 114.707 1.373 . . . . 28.670000000000002 114.707 170.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.0 p -75.64 5.02 6.63 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.31 -0.859 . . . . 26.140000000000001 109.502 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 203' ' ' HOH . 44.7 t -133.58 128.12 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.439 -0.8 . . . . 30.210000000000001 109.314 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' N ' ' O ' ' A' ' 203' ' ' HOH . 28.8 t80 -71.84 122.59 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.555 -0.535 . . . . 36.090000000000003 109.555 163.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -137.17 96.68 0.24 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.04 -1.224 . . . . 40.359999999999999 110.04 -5.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.176 0.513 . . . . 42.329999999999998 111.117 -174.337 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3341 ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.879 1.066 . . . . 36.75 113.879 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3342 ' ' GLU . . . . . 0.784 ' HG3' ' O ' ' B' 3342 ' ' GLU . 0.0 OUTLIER -109.92 94.85 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 35.409999999999997 111.835 -178.568 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 3343 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.06 143.94 51.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.367 1.247 . . . . 40.090000000000003 114.367 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 3344 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 65.79 18.73 11.23 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.622 0.971 . . . . 25.370000000000001 113.622 -173.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3345 ' ' GLY . . . . . 0.415 ' O ' ' HE3' ' A' ' 48' ' ' LYS . . . 82.21 13.28 79.3 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 115.088 0.795 . . . . 17.050000000000001 115.088 -178.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 3346 ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.05 137.66 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.154 -1.054 . . . . 13.77 108.154 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3347 ' ' ILE . . . . . 0.484 HD11 ' HG3' ' A' ' 46' ' ' LYS . 42.0 mm -73.33 115.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.761 -1.2 . . . . 16.390000000000001 107.761 166.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 3348 ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -75.26 92.37 2.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.401 -0.818 . . . . 23.949999999999999 110.187 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3349 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.08 119.74 19.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.032 -0.531 . . . . 28.43 110.747 -174.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 3350 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -101.05 155.11 18.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.619 0.599 . . . . 42.060000000000002 112.619 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3351 ' ' TYR . . . . . 0.648 ' O ' ' HB2' ' B' 3352 ' ' SER . 58.5 m-85 -51.36 -41.45 60.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.143 -0.48 . . . . 38.43 111.572 178.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 3352 ' ' SER . . . . . 0.648 ' HB2' ' O ' ' B' 3351 ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.026 -0.533 . . . . 43.359999999999999 112.058 144.823 . . . . . . . . 2 2 . 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 . . . . . 0.563 ' O ' ' N ' ' A' ' 115' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B 3401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 82' ' ' ASN . 2.2 ptp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 113.367 0.877 . . . . 45.200000000000003 113.367 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -44.2 140.75 2.04 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.865 0.691 . . . . 47.700000000000003 112.865 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 38.1 m-85 -129.76 135.81 48.89 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.914 -0.585 . . . . 36.490000000000002 109.521 168.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.86 -44.89 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 32.100000000000001 110.101 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.495 ' CE1' ' HD2' ' A' ' 48' ' ' LYS . 51.6 t80 -56.49 -47.6 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.526 0.565 . . . . 35.0 112.526 -177.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -60.31 -40.13 89.46 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.216 0.821 . . . . 29.859999999999999 113.216 171.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 3' ' ' PHE . 74.6 mm-40 -62.04 -37.44 84.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.859 0.318 . . . . 44.979999999999997 111.859 179.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.66 -4.36 17.13 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 117.21 2.3 . . . . 39.170000000000002 117.21 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -116.56 120.12 34.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 22.829999999999998 109.069 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.19 137.32 74.42 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.665 2.243 . . . . 16.289999999999999 112.923 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -40.91 -57.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.058 1.133 . . . . 17.91 114.058 -178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 40.159999999999997 109.936 -167.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -75.11 -35.13 61.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.461 0.912 . . . . 38.909999999999997 113.461 169.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -62.25 -37.52 85.77 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.763 -0.775 . . . . 15.99 111.347 169.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -69.84 -44.32 70.16 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.057 1.132 . . . . 27.02 114.057 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.91 -38.35 90.6 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.822 -0.751 . . . . 17.16 110.004 176.349 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.01 -45.61 73.56 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.348 -0.941 . . . . 22.640000000000001 111.044 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.43 98.68 Favored Glycine 0 C--N 1.332 0.345 0 O-C-N 123.462 0.476 . . . . 14.369999999999999 113.12 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HE2' ' A' ' 23' ' ' LYS . 74.9 tt0 -61.62 -48.5 80.59 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.969 0.414 . . . . 18.98 111.936 175.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' SER . 13.9 mtpt -56.77 -42.57 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.594 -0.443 . . . . 35.409999999999997 111.734 178.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -78.04 -32.74 17.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 120.967 0.413 . . . . 12.880000000000001 111.838 -169.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.88 -45.67 93.67 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.283 -0.417 . . . . 17.949999999999999 111.718 168.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HE2' ' HG2' ' A' ' 19' ' ' GLU . 7.1 mttm -68.15 -30.59 69.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.209 0.528 . . . . 20.890000000000001 111.61 -179.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -89.97 -44.07 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.893 0.701 . . . . 17.579999999999998 112.893 -171.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -122.93 78.97 50.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.691 -0.485 . . . . 20.550000000000001 109.691 172.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.3 -31.83 21.78 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 124.072 3.182 . . . . 24.91 115.598 -170.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -81.98 -1.31 47.73 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.193 0.52 . . . . 35.280000000000001 112.24 -177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -113.74 164.36 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.749 0.785 . . . . 20.84 112.635 167.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -122.69 131.7 24.35 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 105.892 -1.892 . . . . 16.809999999999999 105.892 -171.373 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.08 124.54 5.52 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.056 1.837 . . . . 8.6600000000000001 113.231 180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 51' ' ' VAL . 39.6 t -129.67 126.93 63.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.312 -0.404 . . . . 6.9199999999999999 110.646 -174.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.2 mm -91.77 123.5 43.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.301 -0.863 . . . . 7.3700000000000001 109.732 166.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -124.83 119.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.835 -0.62 . . . . 10.93 109.66 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -132.49 146.62 52.07 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.922 0.764 . . . . 29.18 112.44 179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' A' ' 41' ' ' ILE . 13.7 ttpp -66.2 137.38 56.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.159 -0.682 . . . . 19.0 109.159 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.56 138.87 97.59 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 20.91 111.279 175.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -44.87 137.69 9.08 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 118.371 -0.619 . . . . 25.120000000000001 111.044 168.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mttt 68.53 4.16 4.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 114.564 1.32 . . . . 38.130000000000003 114.564 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.99 136.99 58.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.817 -1.549 . . . . 21.07 106.817 164.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -5.77 31.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 21.91 110.165 -171.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 31.6 pt -88.51 176.64 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 113.418 0.896 . . . . 21.649999999999999 113.418 -176.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.66 143.76 22.92 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 116.674 1.43 . . . . 27.09 116.674 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.46 150.39 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.273 -1.01 . . . . 40.329999999999998 108.273 174.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mt -86.08 138.83 31.64 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.404 0.89 . . . . 30.34 113.404 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -70.33 0.11 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.353 -0.84 . . . . 45.32 113.255 171.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HD11 ' B' 3347 ' ' ILE . 0.2 OUTLIER -116.59 169.54 9.26 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.99 0.516 . . . . 42.329999999999998 109.622 176.813 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -120.32 -8.48 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.861 1.8 . . . . 28.649999999999999 115.861 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 5' ' ' TYR . 4.4 mtpp -101.71 123.09 45.12 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.704 0.631 . . . . 19.120000000000001 112.704 178.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -132.08 134.93 46.05 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.831 -0.622 . . . . 13.56 110.44 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.58 107.58 18.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.492 -0.929 . . . . 12.68 108.492 173.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 31' ' ' VAL . 1.9 m -110.8 136.77 20.7 Favored Pre-proline 0 N--CA 1.465 0.316 0 CA-C-N 116.194 -0.457 . . . . 14.779999999999999 111.222 -165.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.12 129.01 32.09 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.759 1.639 . . . . 13.199999999999999 110.966 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.1 m -52.78 -28.17 21.24 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.844 1.053 . . . . 13.859999999999999 113.844 -177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -101.68 1.55 37.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.363 0.505 . . . . 28.52 112.363 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 63' ' ' LEU . 8.9 tp -63.66 133.27 53.35 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.494 0.188 . . . . 14.35 110.675 165.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.6 p -76.46 150.67 36.65 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.077 -0.51 . . . . 10.56 110.612 172.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.0 -45.65 16.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.516 -0.55 . . . . 12.289999999999999 109.516 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -50.23 -51.48 30.85 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.598 -0.601 . . . . 14.619999999999999 111.598 175.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -68.68 -31.02 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.026 -0.269 . . . . 19.219999999999999 110.437 -174.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -70.83 -26.15 63.16 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.446 0.466 . . . . 11.84 110.855 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -59.95 -49.72 76.56 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.823 -0.436 . . . . 15.119999999999999 109.823 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 66' ' ' LYS . 77.0 t80 -59.65 -40.82 88.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 30.559999999999999 112.216 -179.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 55' ' ' LEU . 11.4 mt -68.04 -45.26 74.42 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.781 0.66 . . . . 17.710000000000001 112.781 -178.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.01 -46.17 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.709 -0.396 . . . . 15.42 111.932 178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -42.81 -51.35 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.077 0.465 . . . . 18.600000000000001 111.472 171.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -69.88 -22.13 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.804 -0.634 . . . . 35.659999999999997 112.668 -176.29 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mtp85 -81.22 -25.11 36.94 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.07 0.462 . . . . 33.25 111.439 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.74 2.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 119.905 -0.718 . . . . 29.18 111.469 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.3 m80 55.89 55.03 7.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.673 -0.491 . . . . 43.840000000000003 109.673 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.53 146.47 53.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 30.949999999999999 110.837 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -69.84 146.89 50.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.127 -0.629 . . . . 31.210000000000001 110.348 164.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -42.67 -44.39 4.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.945 -0.571 . . . . 30.23 111.032 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -12.87 57.64 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.711 0.634 . . . . 44.890000000000001 112.711 -171.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.54 140.4 56.98 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.28 0.562 . . . . 24.359999999999999 111.967 172.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -98.12 156.77 16.51 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.186 -0.915 . . . . 17.52 111.294 174.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 tp -137.77 124.96 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.529 -0.759 . . . . 13.93 109.26 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.21 151.9 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.369 -0.604 . . . . 11.390000000000001 109.369 174.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -112.68 152.76 28.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.824 -0.806 . . . . 10.859999999999999 108.824 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -140.55 122.06 15.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.205 -0.665 . . . . 12.69 109.205 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -114.88 120.02 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.542 -1.208 . . . . 17.25 107.904 166.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 82' ' ' ASN . 90.9 m-20 53.41 45.86 27.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.51 0.929 . . . . 32.299999999999997 113.51 -175.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' ASN . 29.5 m-80 74.36 -1.41 3.09 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.953 1.464 . . . . 27.82 114.953 178.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.05 142.21 40.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.251 -1.018 . . . . 20.440000000000001 108.251 -170.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 mt -75.86 125.09 88.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 O-C-N 123.192 0.308 . . . . 15.31 111.535 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.04 141.96 24.3 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 121.545 1.497 . . . . 12.32 110.068 166.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -73.24 144.45 37.18 Favored 'Trans proline' 0 C--N 1.343 0.275 0 O-C-N 122.845 0.918 . . . . 10.19 111.091 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -49.76 -20.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.378 . . . . 13.43 111.848 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -97.55 9.12 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.709 0.633 . . . . 10.67 112.709 -164.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.99 151.05 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.759 -0.46 . . . . 9.3599999999999994 109.759 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 p -80.14 157.23 26.68 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.62 -0.882 . . . . 11.970000000000001 108.62 170.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.55 -27.52 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.818 0.342 . . . . 12.66 111.432 172.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.95 -45.87 70.42 Favored Glycine 0 CA--C 1.52 0.369 0 CA-C-N 116.44 -0.346 . . . . 13.470000000000001 113.56 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 97' ' ' GLU . 1.7 mt-30 -60.66 -43.75 97.25 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.559 0.578 . . . . 29.09 112.559 172.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 HD12 ' HD2' ' A' ' 98' ' ' HIS . 6.4 tp -61.46 -44.79 96.48 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.675 -1.232 . . . . 19.739999999999998 107.675 178.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.433 ' CD2' HG13 ' A' ' 29' ' ' VAL . 63.5 t80 -58.15 -43.14 87.2 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.35 0.87 . . . . 15.640000000000001 113.35 175.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.65 -47.67 77.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.996 0.427 . . . . 31.57 109.919 -176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 93' ' ' GLN . 36.1 mt-10 -72.94 -34.52 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.151 -0.931 . . . . 38.899999999999999 110.617 -175.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.51 ' HD2' HD12 ' A' ' 94' ' ' LEU . 78.7 m-70 -120.72 -5.96 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 118.048 2.61 . . . . 18.48 118.048 -161.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -61.62 151.06 34.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.994 0.426 . . . . 11.6 111.3 177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -98.47 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.185 -0.461 . . . . 15.4 111.272 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -64.33 -6.06 6.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.096 1.147 . . . . 25.359999999999999 114.096 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -95.72 7.22 46.92 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.648 0.61 . . . . 13.960000000000001 112.648 170.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 74.13 8.22 4.69 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 114.741 1.385 . . . . 11.85 114.741 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -97.86 151.81 19.84 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.666 -0.414 . . . . 17.920000000000002 111.421 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -103.49 134.18 47.28 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.232 -1.025 . . . . 11.1 108.232 166.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -114.33 122.53 46.97 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 112.357 0.503 . . . . 10.44 112.357 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.7 mt -126.74 128.02 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 12.869999999999999 110.191 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.82 144.16 33.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.469 0.652 . . . . 12.369999999999999 111.133 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -120.55 155.42 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.492 -0.883 . . . . 16.969999999999999 111.316 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.2 t -150.3 170.06 19.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 14.18 111.709 -177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -95.86 -0.29 51.23 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.791 0.663 . . . . 19.390000000000001 112.791 162.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -106.32 144.02 33.61 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 114.707 1.373 . . . . 28.670000000000002 114.707 170.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.0 p -75.64 5.02 6.63 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.31 -0.859 . . . . 26.140000000000001 109.502 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 203' ' ' HOH . 44.7 t -133.58 128.12 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.439 -0.8 . . . . 30.210000000000001 109.314 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' N ' ' O ' ' A' ' 203' ' ' HOH . 28.8 t80 -71.84 122.59 21.0 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.555 -0.535 . . . . 36.090000000000003 109.555 163.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -137.17 96.68 0.24 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.04 -1.224 . . . . 40.359999999999999 110.04 -5.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.235 0.325 0 CA-C-O 121.176 0.513 . . . . 42.329999999999998 111.117 -174.337 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3341 ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.879 1.066 . . . . 36.75 113.879 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3342 ' ' GLU . . . . . 0.784 ' O ' ' HG3' ' B' 3342 ' ' GLU . 0.0 OUTLIER -109.92 94.85 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.835 0.309 . . . . 35.409999999999997 111.835 -178.568 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 3343 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.06 143.94 51.09 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.367 1.247 . . . . 40.090000000000003 114.367 174.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 3344 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 65.79 18.73 11.23 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 113.622 0.971 . . . . 25.370000000000001 113.622 -173.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3345 ' ' GLY . . . . . 0.415 ' O ' ' HE3' ' A' ' 48' ' ' LYS . . . 82.21 13.28 79.3 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 115.088 0.795 . . . . 17.050000000000001 115.088 -178.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 3346 ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.05 137.66 53.98 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.154 -1.054 . . . . 13.77 108.154 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3347 ' ' ILE . . . . . 0.484 HD11 ' HG3' ' A' ' 46' ' ' LYS . 42.0 mm -73.33 115.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.761 -1.2 . . . . 16.390000000000001 107.761 166.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 3348 ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -75.26 92.37 2.74 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.401 -0.818 . . . . 23.949999999999999 110.187 173.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3349 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.08 119.74 19.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.032 -0.531 . . . . 28.43 110.747 -174.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 3350 ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -101.05 155.11 18.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.619 0.599 . . . . 42.060000000000002 112.619 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3351 ' ' TYR . . . . . 0.648 ' O ' ' HB2' ' B' 3352 ' ' SER . 58.5 m-85 -51.36 -41.45 60.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.143 -0.48 . . . . 38.43 111.572 178.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 3352 ' ' SER . . . . . 0.648 ' HB2' ' O ' ' B' 3351 ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.026 -0.533 . . . . 43.359999999999999 112.058 144.823 . . . . . . . . 2 2 . 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 . . . . . 0.563 ' O ' ' N ' ' A' ' 115' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B 3401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_