data_1dq7_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 1dq7 _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.554 0 N-CA-C 113.845 0.298 . . . . 49.91 113.845 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -113.4 141.6 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.071 0.548 . . . . 46.18 111.647 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.45 137.61 38.63 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 108.265 -1.013 . . . . 47.13 108.265 178.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.13 179.0 41.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.01 -1.09 . . . . 33.45 113.805 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.33 106.03 12.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.904 0.383 . . . . 28.07 111.544 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 tt -53.87 140.67 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 24.55 110.208 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.76 174.42 10.53 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 111.988 0.366 . . . . 25.27 111.988 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.2 p30 -94.68 175.34 6.7 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 119.729 -0.788 . . . . 31.29 109.288 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.79 6.33 0.05 OUTLIER Glycine 0 CA--C 1.522 0.493 0 C-N-CA 119.58 -1.295 . . . . 33.48 113.987 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -127.34 32.1 5.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 114.259 1.207 . . . . 40.6 114.259 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 57.47 41.39 26.15 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 113.789 1.033 . . . . 30.46 113.789 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 m -124.55 129.44 50.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.854 0.359 . . . . 31.77 110.784 179.746 -51.485 -88.394 94.017 103.734 2.032 104.059 68.443 147.827 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -75.07 176.36 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 25.11 111.72 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -110.58 126.27 54.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.867 -0.606 . . . . 25.06 109.819 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.3 mm -73.71 149.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.032 0.533 . . . . 29.38 109.599 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -159.08 175.88 12.95 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.773 1.397 . . . . 29.77 114.773 -178.862 58.516 85.176 92.359 106.348 2.04 104.563 67.537 -177.013 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -139.09 -43.63 0.46 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.192 -0.913 . . . . 36.22 109.483 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -109.21 144.03 37.85 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.56 1.319 . . . . 40.38 114.56 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -60.07 -38.19 82.15 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.146 -0.479 . . . . 26.68 110.808 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -49.86 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 46.58 112.077 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -54.8 -53.15 58.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.901 0.704 . . . . 28.97 112.901 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -62.26 -37.95 87.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.615 -0.434 . . . . 22.72 111.79 -179.86 -64.786 -56.882 -80.664 105.072 2.026 103.517 -49.175 -72.068 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -58.93 -43.79 91.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.52 -0.872 . . . . 37.84 109.649 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 111' ' ' HOH . . . -60.7 -55.82 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.577 -0.897 . . . . 30.66 108.577 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.4 tp -51.24 -49.42 61.15 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.7 -0.682 . . . . 27.23 112.242 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.55 -48.87 73.45 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.98 -0.555 . . . . 24.13 111.354 179.413 -67.627 -67.707 -85.03 102.526 2.026 105.064 -42.424 -64.2 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -62.07 -43.55 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.678 -0.809 . . . . 33.9 111.492 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -55.5 -30.32 60.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.731 -0.788 . . . . 44.96 110.661 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 91' ' ' HOH . 71.4 mmtt -89.98 17.99 6.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.262 -0.426 . . . . 36.57 110.917 -179.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 73.6 17.58 3.7 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 115.806 1.78 . . . . 48.67 115.806 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 171.82 55.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 109.102 -1.599 . . . . 39.14 109.102 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.81 -41.06 27.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.221 -1.029 . . . . 44.13 108.221 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -169.08 175.07 5.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 35.17 110.637 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.96 163.38 29.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.322 -0.942 . . . . 29.53 111.268 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.68 158.99 43.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.363 -0.606 . . . . 22.73 109.363 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.3 t -96.43 116.4 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.238 -0.585 . . . . 26.86 109.596 179.587 -177.013 67.537 92.359 104.563 2.04 106.348 85.176 58.516 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -91.31 108.2 19.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.61 -0.515 . . . . 33.72 109.61 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -68.99 -31.2 69.86 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.902 2.186 . . . . 49.89 116.902 -178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -116.59 80.17 1.43 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.364 1.246 . . . . 49.83 114.364 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' CG1' ' CD ' ' A' ' 41' ' ' PRO . 30.3 t -118.46 164.74 18.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 108.006 -1.109 . . . . 35.98 108.006 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . 0.483 ' CD ' ' CG1' ' A' ' 40' ' ' VAL . 91.2 Cg_exo -66.92 -11.89 33.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.847 -0.968 . . . . 32.23 113.79 -179.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -107.47 2.18 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.157 0.799 . . . . 28.08 113.157 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.98 -148.44 17.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.91 -1.276 . . . . 31.05 109.91 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -91.24 103.22 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 106.539 -1.652 . . . . 32.18 106.539 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.26 159.63 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 116.568 2.062 . . . . 24.95 116.568 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.1 m -73.08 132.98 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.345 1.609 . . . . 23.96 115.345 -179.543 -72.068 -49.175 -80.664 103.517 2.026 105.072 -56.882 -64.786 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -114.89 138.49 50.74 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 105.055 -2.202 . . . . 32.3 105.055 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.61 146.51 46.91 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.809 0.337 . . . . 27.7 111.131 -179.868 -64.2 -42.424 -85.03 105.064 2.026 102.526 -67.707 -67.627 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -104.88 133.99 48.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.178 -0.675 . . . . 58.05 109.178 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 49.04 61.6 3.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.652 0.982 . . . . 49.61 113.652 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -93.51 137.26 23.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.094 -1.817 . . . . 39.35 106.094 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -64.69 164.83 22.66 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.718 2.279 . . . . 43.17 113.417 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 66.8 p -71.17 -26.12 0.89 Allowed Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 113.659 0.985 . . . . 46.37 113.659 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 53' ' ' THR . 73.8 Cg_exo -62.22 -17.23 55.77 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.889 -0.941 . . . . 44.33 110.403 179.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.35 125.24 33.42 Favored Pre-proline 0 C--O 1.233 0.235 0 N-CA-C 112.798 0.666 . . . . 39.71 112.798 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -69.71 155.79 65.19 Favored 'Trans proline' 0 CA--C 1.536 0.616 1 C-N-CA 126.198 4.599 . . . . 36.58 115.548 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.6 pt -135.57 151.52 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.215 -1.772 . . . . 32.86 106.215 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -49.97 131.47 22.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.527 0.566 . . . . 27.12 112.527 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.98 177.9 16.45 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.176 -1.57 . . . . 26.11 109.176 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.8 t -62.4 137.82 58.33 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 113.865 1.061 . . . . 31.88 113.865 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.19 -159.46 13.75 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 116.955 1.542 . . . . 25.28 116.955 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.38 159.94 15.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 117.75 2.5 . . . . 28.99 117.75 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 119.46 39.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 103.526 -2.768 . . . . 29.54 103.526 177.845 147.827 68.443 94.017 104.059 2.032 103.734 -88.394 -51.485 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.295 1.221 . . . . 47.3 114.295 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 112.391 -0.284 . . . . 54.0 112.391 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 51' ' ' LEU . 23.6 pt-20 -121.09 165.22 15.63 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.799 -0.445 . . . . 49.92 109.799 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.99 155.04 30.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.021 0.529 . . . . 45.09 110.5 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.84 -173.81 28.66 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 117.23 1.652 . . . . 40.45 117.23 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -90.82 107.03 18.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.411 -0.959 . . . . 32.72 108.411 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.5 tt -54.03 139.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.514 0.509 . . . . 27.07 109.949 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.11 161.9 32.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 26.22 110.543 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' B' ' 10' ' ' ASP . 29.7 p30 -84.08 -172.38 4.13 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.462 -1.681 . . . . 29.36 106.462 178.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.39 -15.17 63.23 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 119.548 -1.311 . . . . 33.48 114.961 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 87.6 m-20 -101.19 17.9 21.28 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 115.01 1.485 . . . . 38.48 115.01 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.79 32.48 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.63 0.974 . . . . 24.16 113.63 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -112.94 135.51 53.63 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.028 -0.36 . . . . 22.3 110.028 179.375 -55.928 -89.02 92.065 104.115 2.027 103.95 60.828 149.405 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 78.6 p -85.24 177.56 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.733 -0.469 . . . . 22.32 109.733 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -108.95 124.68 51.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.775 1.398 . . . . 25.82 114.775 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.26 135.37 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.572 -0.899 . . . . 35.62 108.572 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -140.99 179.81 6.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 119.858 -0.737 . . . . 24.23 111.555 179.77 57.974 82.182 91.012 103.489 2.031 102.363 62.471 -176.115 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.5 m -145.22 -47.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.072 -1.455 . . . . 26.66 107.072 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -109.02 143.53 38.19 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 115.647 1.721 . . . . 31.94 115.647 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -58.57 -42.61 88.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.921 -0.582 . . . . 25.82 111.733 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -49.64 -42.62 45.62 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.08 0.77 . . . . 35.79 113.08 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -66.75 -46.58 74.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.948 -0.301 . . . . 27.64 111.766 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.61 -35.75 81.53 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 112.745 0.646 . . . . 25.53 112.745 -179.637 -70.225 -53.908 -84.733 103.953 2.032 102.937 -46.052 -74.023 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -63.31 -42.22 99.0 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.512 -0.767 . . . . 53.9 110.245 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.72 -49.29 63.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.404 -0.591 . . . . 27.35 109.404 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.3 -50.5 67.19 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.43 -0.508 . . . . 28.33 110.417 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.47 -51.96 67.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.2 -0.6 . . . . 34.91 111.844 -179.473 -67.128 -75.488 -87.355 105.027 2.032 106.126 -48.247 -59.184 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -61.65 -25.47 67.4 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.809 1.04 . . . . 41.84 113.809 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.88 -7.85 52.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.666 -0.864 . . . . 58.44 108.666 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.95 20.66 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 54.73 110.562 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 71.39 11.75 6.65 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 117.267 2.321 . . . . 55.46 117.267 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.86 167.55 54.71 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 106.621 -2.592 . . . . 47.01 106.621 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.11 -55.18 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.274 1.037 . . . . 53.32 111.873 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -146.03 177.16 9.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 111.988 0.366 . . . . 45.11 111.988 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.82 31.27 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.926 -0.579 . . . . 38.08 114.473 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.45 153.36 25.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.877 0.37 . . . . 30.57 110.649 179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 42.2 t -92.61 111.66 23.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.774 -0.648 . . . . 24.36 110.296 179.159 -176.115 62.471 91.012 102.363 2.031 103.489 82.182 57.974 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.39 109.28 20.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 34.32 109.474 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TRP . . . . . 0.444 ' CD1' ' CG2' ' B' ' 44' ' ' VAL . 50.1 m0 -69.16 -41.39 77.31 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 119.022 2.971 . . . . 31.84 119.022 -178.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -105.38 87.84 2.71 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.295 0.569 . . . . 41.38 112.085 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' B' ' 42' ' ' TYR . 1.0 OUTLIER -131.25 159.81 69.94 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 115.462 -0.79 . . . . 30.59 110.928 -178.002 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -62.42 -25.79 76.31 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 N-CA-C 110.036 -0.794 . . . . 28.38 110.036 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . 0.454 ' N ' ' CG1' ' B' ' 40' ' ' VAL . 1.1 m-85 -96.17 10.09 38.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.831 1.049 . . . . 28.88 113.831 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.34 -150.36 19.37 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 108.203 -1.959 . . . . 23.5 108.203 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . 0.444 ' CG2' ' CD1' ' B' ' 38' ' ' TRP . 13.5 p -97.77 102.81 13.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 107.625 -1.25 . . . . 23.64 107.625 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.8 m -126.23 167.88 20.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 115.248 1.573 . . . . 21.56 115.248 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.07 140.81 39.1 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.859 1.059 . . . . 23.44 113.859 179.38 -74.023 -46.052 -84.733 102.937 2.032 103.953 -53.908 -70.225 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' TRP . . . . . . . . . . . . . 90.1 t90 -121.51 133.58 55.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.67 -1.233 . . . . 40.02 107.67 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -114.71 153.19 30.71 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.783 0.66 . . . . 37.26 112.783 179.592 -59.184 -48.247 -87.355 106.126 2.032 105.027 -75.488 -67.128 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.56 134.47 54.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.531 -0.914 . . . . 49.97 108.531 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.17 63.28 2.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.713 0.635 . . . . 38.12 112.713 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 2' ' ' GLU . 11.7 tp -96.75 140.97 22.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.287 -0.635 . . . . 37.31 109.287 -179.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -64.25 143.69 84.21 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.819 1.679 . . . . 41.76 111.138 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' B' ' 54' ' ' PRO . 86.3 m -50.66 -27.68 1.64 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.644 0.979 . . . . 42.87 113.644 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' B' ' 53' ' ' THR . 68.8 Cg_exo -62.12 -37.03 66.44 Favored 'Trans proline' 0 C--N 1.343 0.248 0 N-CA-C 113.846 0.672 . . . . 45.57 113.846 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.38 132.21 56.37 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.903 0.382 . . . . 37.77 111.97 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 124.252 3.302 . . . . 34.48 114.309 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 48.2 pt -126.91 158.41 37.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.136 -2.172 . . . . 29.24 105.136 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -63.1 128.22 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.264 0.838 . . . . 26.04 113.264 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.92 173.28 16.11 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 108.708 -1.757 . . . . 26.36 108.708 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.8 p -59.51 147.73 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.616 0.708 . . . . 37.51 111.084 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.65 -168.79 14.01 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.411 -1.376 . . . . 32.83 112.1 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -95.49 156.73 16.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.344 2.35 . . . . 37.19 117.344 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.45 119.6 38.26 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 104.116 -2.55 . . . . 24.2 104.116 177.492 149.405 60.828 92.065 103.95 2.027 104.115 -89.02 -55.928 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.334 -1.317 . . . . 51.37 114.299 -178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . 0.432 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . 0.414 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.554 0 N-CA-C 113.845 0.298 . . . . 49.91 113.845 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -113.4 141.6 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.071 0.548 . . . . 46.18 111.647 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.45 137.61 38.63 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 108.265 -1.013 . . . . 47.13 108.265 178.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.13 179.0 41.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.01 -1.09 . . . . 33.45 113.805 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.33 106.03 12.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.904 0.383 . . . . 28.07 111.544 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 29' ' ' LYS . 21.3 tt -53.87 140.67 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 24.55 110.208 -179.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.76 174.42 10.53 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 111.988 0.366 . . . . 25.27 111.988 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 10' ' ' ASP . 50.2 p30 -94.68 175.34 6.7 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 119.729 -0.788 . . . . 31.29 109.288 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.79 6.33 0.05 OUTLIER Glycine 0 CA--C 1.522 0.493 0 C-N-CA 119.58 -1.295 . . . . 33.48 113.987 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 8' ' ' ASP . 97.7 m-20 -127.34 32.1 5.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 114.259 1.207 . . . . 40.6 114.259 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 57.47 41.39 26.15 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 113.789 1.033 . . . . 30.46 113.789 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 m -124.55 129.44 50.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.854 0.359 . . . . 31.77 110.784 179.746 -51.485 -88.394 94.017 103.734 2.032 104.059 68.443 147.827 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -75.07 176.36 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 25.11 111.72 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -110.58 126.27 54.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.867 -0.606 . . . . 25.06 109.819 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.3 mm -73.71 149.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.032 0.533 . . . . 29.38 109.599 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -159.08 175.88 12.95 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.773 1.397 . . . . 29.77 114.773 -178.862 58.516 85.176 92.359 106.348 2.04 104.563 67.537 -177.013 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -139.09 -43.63 0.46 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.192 -0.913 . . . . 36.22 109.483 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -109.21 144.03 37.85 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.56 1.319 . . . . 40.38 114.56 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.07 -38.19 82.15 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.146 -0.479 . . . . 26.68 110.808 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -51.17 -49.86 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 46.58 112.077 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -54.8 -53.15 58.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.901 0.704 . . . . 28.97 112.901 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -62.26 -37.95 87.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.615 -0.434 . . . . 22.72 111.79 -179.86 -64.786 -56.882 -80.664 105.072 2.026 103.517 -49.175 -72.068 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -58.93 -43.79 91.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.52 -0.872 . . . . 37.84 109.649 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 111' ' ' HOH . . . -60.7 -55.82 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.577 -0.897 . . . . 30.66 108.577 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 44.4 tp -51.24 -49.42 61.15 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.7 -0.682 . . . . 27.23 112.242 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.55 -48.87 73.45 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.98 -0.555 . . . . 24.13 111.354 179.413 -67.627 -67.707 -85.03 102.526 2.026 105.064 -42.424 -64.2 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -62.07 -43.55 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.678 -0.809 . . . . 33.9 111.492 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -55.5 -30.32 60.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.731 -0.788 . . . . 44.96 110.661 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 71.4 mmtt -89.98 17.99 6.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.262 -0.426 . . . . 36.57 110.917 -179.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 73.6 17.58 3.7 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 115.806 1.78 . . . . 48.67 115.806 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 171.82 55.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 109.102 -1.599 . . . . 39.14 109.102 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.81 -41.06 27.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.221 -1.029 . . . . 44.13 108.221 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -169.08 175.07 5.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 35.17 110.637 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.96 163.38 29.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.322 -0.942 . . . . 29.53 111.268 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.68 158.99 43.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.363 -0.606 . . . . 22.73 109.363 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' HG12 ' A' ' 44' ' ' VAL . 45.3 t -96.43 116.4 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.238 -0.585 . . . . 26.86 109.596 179.587 -177.013 67.537 92.359 104.563 2.04 106.348 85.176 58.516 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -91.31 108.2 19.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.61 -0.515 . . . . 33.72 109.61 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' HA ' HG13 ' A' ' 44' ' ' VAL . 17.3 m0 -68.99 -31.2 69.86 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.902 2.186 . . . . 49.89 116.902 -178.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' HB2' ' OD1' ' B' ' 20' ' ' ASN . 16.3 m95 -116.59 80.17 1.43 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.364 1.246 . . . . 49.83 114.364 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG12 ' HD2' ' A' ' 41' ' ' PRO . 30.3 t -118.46 164.74 18.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 108.006 -1.109 . . . . 35.98 108.006 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . 0.607 ' HD2' HG12 ' A' ' 40' ' ' VAL . 91.2 Cg_exo -66.92 -11.89 33.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.847 -0.968 . . . . 32.23 113.79 -179.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -107.47 2.18 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.157 0.799 . . . . 28.08 113.157 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 95' ' ' HOH . . . 110.98 -148.44 17.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.91 -1.276 . . . . 31.05 109.91 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 38' ' ' TRP . 11.2 t -91.24 103.22 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 106.539 -1.652 . . . . 32.18 106.539 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.26 159.63 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 116.568 2.062 . . . . 24.95 116.568 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.1 m -73.08 132.98 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.345 1.609 . . . . 23.96 115.345 -179.543 -72.068 -49.175 -80.664 103.517 2.026 105.072 -56.882 -64.786 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -114.89 138.49 50.74 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 105.055 -2.202 . . . . 32.3 105.055 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.61 146.51 46.91 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.809 0.337 . . . . 27.7 111.131 -179.868 -64.2 -42.424 -85.03 105.064 2.026 102.526 -67.707 -67.627 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -104.88 133.99 48.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.178 -0.675 . . . . 58.05 109.178 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 49.04 61.6 3.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.652 0.982 . . . . 49.61 113.652 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -93.51 137.26 23.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.094 -1.817 . . . . 39.35 106.094 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . 0.666 ' HB2' ' HD2' ' A' ' 54' ' ' PRO . 72.6 Cg_exo -64.69 164.83 22.66 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.718 2.279 . . . . 43.17 113.417 -179.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 66.8 p -71.17 -26.12 0.89 Allowed Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 113.659 0.985 . . . . 46.37 113.659 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . 0.666 ' HD2' ' HB2' ' A' ' 52' ' ' PRO . 73.8 Cg_exo -62.22 -17.23 55.77 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.889 -0.941 . . . . 44.33 110.403 179.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.35 125.24 33.42 Favored Pre-proline 0 C--O 1.233 0.235 0 N-CA-C 112.798 0.666 . . . . 39.71 112.798 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -69.71 155.79 65.19 Favored 'Trans proline' 0 CA--C 1.536 0.616 1 C-N-CA 126.198 4.599 . . . . 36.58 115.548 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.6 pt -135.57 151.52 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.215 -1.772 . . . . 32.86 106.215 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -49.97 131.47 22.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.527 0.566 . . . . 27.12 112.527 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.98 177.9 16.45 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.176 -1.57 . . . . 26.11 109.176 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.8 t -62.4 137.82 58.33 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 113.865 1.061 . . . . 31.88 113.865 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.19 -159.46 13.75 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 116.955 1.542 . . . . 25.28 116.955 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.38 159.94 15.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 117.75 2.5 . . . . 28.99 117.75 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 119.46 39.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 103.526 -2.768 . . . . 29.54 103.526 177.845 147.827 68.443 94.017 104.059 2.032 103.734 -88.394 -51.485 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . 0.581 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.295 1.221 . . . . 47.3 114.295 -178.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 112.391 -0.284 . . . . 54.0 112.391 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -121.09 165.22 15.63 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.799 -0.445 . . . . 49.92 109.799 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.99 155.04 30.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.021 0.529 . . . . 45.09 110.5 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.84 -173.81 28.66 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 117.23 1.652 . . . . 40.45 117.23 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -90.82 107.03 18.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.411 -0.959 . . . . 32.72 108.411 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.5 tt -54.03 139.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.514 0.509 . . . . 27.07 109.949 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.11 161.9 32.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 26.22 110.543 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -84.08 -172.38 4.13 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.462 -1.681 . . . . 29.36 106.462 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.39 -15.17 63.23 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 119.548 -1.311 . . . . 33.48 114.961 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -101.19 17.9 21.28 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 115.01 1.485 . . . . 38.48 115.01 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 63.8 t30 68.79 32.48 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.63 0.974 . . . . 24.16 113.63 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -112.94 135.51 53.63 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.028 -0.36 . . . . 22.3 110.028 179.375 -55.928 -89.02 92.065 104.115 2.027 103.95 60.828 149.405 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 78.6 p -85.24 177.56 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.733 -0.469 . . . . 22.32 109.733 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' B' ' 45' ' ' VAL . 15.6 m-85 -108.95 124.68 51.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.775 1.398 . . . . 25.82 114.775 -178.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . 0.525 HD13 ' O ' ' B' ' 69' ' ' HOH . 2.8 mp -69.26 135.37 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.572 -0.899 . . . . 35.62 108.572 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -140.99 179.81 6.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 119.858 -0.737 . . . . 24.23 111.555 179.77 57.974 82.182 91.012 103.489 2.031 102.363 62.471 -176.115 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.5 m -145.22 -47.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.072 -1.455 . . . . 26.66 107.072 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -109.02 143.53 38.19 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 115.647 1.721 . . . . 31.94 115.647 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -58.57 -42.61 88.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.921 -0.582 . . . . 25.82 111.733 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 39' ' ' TRP . 13.4 t-20 -49.64 -42.62 45.62 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.08 0.77 . . . . 35.79 113.08 -179.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -66.75 -46.58 74.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.948 -0.301 . . . . 27.64 111.766 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.61 -35.75 81.53 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 112.745 0.646 . . . . 25.53 112.745 -179.637 -70.225 -53.908 -84.733 103.953 2.032 102.937 -46.052 -74.023 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -63.31 -42.22 99.0 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.512 -0.767 . . . . 53.9 110.245 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.72 -49.29 63.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.404 -0.591 . . . . 27.35 109.404 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.3 -50.5 67.19 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.43 -0.508 . . . . 28.33 110.417 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.47 -51.96 67.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.2 -0.6 . . . . 34.91 111.844 -179.473 -67.128 -75.488 -87.355 105.027 2.032 106.126 -48.247 -59.184 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -61.65 -25.47 67.4 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.809 1.04 . . . . 41.84 113.809 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.88 -7.85 52.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.666 -0.864 . . . . 58.44 108.666 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.95 20.66 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 54.73 110.562 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HG2' ' B' ' 52' ' ' PRO . 70.0 mmtt 71.39 11.75 6.65 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 117.267 2.321 . . . . 55.46 117.267 178.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.86 167.55 54.71 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 106.621 -2.592 . . . . 47.01 106.621 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.11 -55.18 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.274 1.037 . . . . 53.32 111.873 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -146.03 177.16 9.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 111.988 0.366 . . . . 45.11 111.988 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.82 31.27 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.926 -0.579 . . . . 38.08 114.473 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 73' ' ' HOH . . . -158.45 153.36 25.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.877 0.37 . . . . 30.57 110.649 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' B' ' 44' ' ' VAL . 42.2 t -92.61 111.66 23.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.774 -0.648 . . . . 24.36 110.296 179.159 -176.115 62.471 91.012 102.363 2.031 103.489 82.182 57.974 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.39 109.28 20.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 34.32 109.474 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TRP . . . . . 0.831 ' HA ' HG23 ' B' ' 44' ' ' VAL . 50.1 m0 -69.16 -41.39 77.31 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 119.022 2.971 . . . . 31.84 119.022 -178.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -105.38 87.84 2.71 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.295 0.569 . . . . 41.38 112.085 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . 0.721 ' CG1' ' H ' ' B' ' 42' ' ' TYR . 1.0 OUTLIER -131.25 159.81 69.94 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 115.462 -0.79 . . . . 30.59 110.928 -178.002 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' B' ' 40' ' ' VAL . 86.8 Cg_exo -62.42 -25.79 76.31 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 N-CA-C 110.036 -0.794 . . . . 28.38 110.036 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . 0.721 ' H ' ' CG1' ' B' ' 40' ' ' VAL . 1.1 m-85 -96.17 10.09 38.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.831 1.049 . . . . 28.88 113.831 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.34 -150.36 19.37 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 108.203 -1.959 . . . . 23.5 108.203 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' B' ' 38' ' ' TRP . 13.5 p -97.77 102.81 13.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 107.625 -1.25 . . . . 23.64 107.625 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' B' ' 14' ' ' TYR . 22.8 m -126.23 167.88 20.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 115.248 1.573 . . . . 21.56 115.248 -177.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.07 140.81 39.1 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.859 1.059 . . . . 23.44 113.859 179.38 -74.023 -46.052 -84.733 102.937 2.032 103.953 -53.908 -70.225 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' B' ' 49' ' ' GLU . 90.1 t90 -121.51 133.58 55.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.67 -1.233 . . . . 40.02 107.67 178.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -114.71 153.19 30.71 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.783 0.66 . . . . 37.26 112.783 179.592 -59.184 -48.247 -87.355 106.126 2.032 105.027 -75.488 -67.128 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' B' ' 47' ' ' TRP . 34.1 tt0 -116.56 134.47 54.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.531 -0.914 . . . . 49.97 108.531 178.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.17 63.28 2.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.713 0.635 . . . . 38.12 112.713 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -96.75 140.97 22.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.287 -0.635 . . . . 37.31 109.287 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PRO . . . . . 0.489 ' HB2' ' HD2' ' B' ' 54' ' ' PRO . 72.9 Cg_exo -64.25 143.69 84.21 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.819 1.679 . . . . 41.76 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' B' ' 54' ' ' PRO . 86.3 m -50.66 -27.68 1.64 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.644 0.979 . . . . 42.87 113.644 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' B' ' 52' ' ' PRO . 68.8 Cg_exo -62.12 -37.03 66.44 Favored 'Trans proline' 0 C--N 1.343 0.248 0 N-CA-C 113.846 0.672 . . . . 45.57 113.846 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.38 132.21 56.37 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.903 0.382 . . . . 37.77 111.97 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 124.252 3.302 . . . . 34.48 114.309 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 48.2 pt -126.91 158.41 37.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.136 -2.172 . . . . 29.24 105.136 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -63.1 128.22 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.264 0.838 . . . . 26.04 113.264 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.92 173.28 16.11 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 108.708 -1.757 . . . . 26.36 108.708 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.8 p -59.51 147.73 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.616 0.708 . . . . 37.51 111.084 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.65 -168.79 14.01 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.411 -1.376 . . . . 32.83 112.1 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -95.49 156.73 16.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.344 2.35 . . . . 37.19 117.344 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.45 119.6 38.26 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 104.116 -2.55 . . . . 24.2 104.116 177.492 149.405 60.828 92.065 103.95 2.027 104.115 -89.02 -55.928 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' B' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.334 -1.317 . . . . 51.37 114.299 -178.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . 0.607 ' O ' ' HA3' ' A' ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . 0.8 ' O ' ' HB1' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . 0.525 ' O ' HD13 ' B' ' 15' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . 0.571 ' O ' ' HB2' ' B' ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.554 0 N-CA-C 113.845 0.298 . . . . 49.91 113.845 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -113.4 141.6 46.89 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.071 0.548 . . . . 46.18 111.647 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.45 137.61 38.63 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 108.265 -1.013 . . . . 47.13 108.265 178.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.13 179.0 41.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.01 -1.09 . . . . 33.45 113.805 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.33 106.03 12.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.904 0.383 . . . . 28.07 111.544 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 29' ' ' LYS . 21.3 tt -53.87 140.67 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 24.55 110.208 -179.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.76 174.42 10.53 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 111.988 0.366 . . . . 25.27 111.988 -179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 10' ' ' ASP . 50.2 p30 -94.68 175.34 6.7 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 119.729 -0.788 . . . . 31.29 109.288 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.79 6.33 0.05 OUTLIER Glycine 0 CA--C 1.522 0.493 0 C-N-CA 119.58 -1.295 . . . . 33.48 113.987 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 8' ' ' ASP . 97.7 m-20 -127.34 32.1 5.1 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 114.259 1.207 . . . . 40.6 114.259 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.917 HD21 ' H ' ' A' ' 59' ' ' GLY . 1.4 t-20 57.47 41.39 26.15 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 113.789 1.033 . . . . 30.46 113.789 177.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.5 m -124.55 129.44 50.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.854 0.359 . . . . 31.77 110.784 179.746 -51.485 -88.394 94.017 103.734 2.032 104.059 68.443 147.827 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.9 p -75.07 176.36 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 25.11 111.72 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -110.58 126.27 54.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.867 -0.606 . . . . 25.06 109.819 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.3 mm -73.71 149.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.032 0.533 . . . . 29.38 109.599 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -159.08 175.88 12.95 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.773 1.397 . . . . 29.77 114.773 -178.862 58.516 85.176 92.359 106.348 2.04 104.563 67.537 -177.013 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -139.09 -43.63 0.46 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.192 -0.913 . . . . 36.22 109.483 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -109.21 144.03 37.85 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.56 1.319 . . . . 40.38 114.56 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.853 HD22 ' H ' ' A' ' 36' ' ' CYS . 12.2 m120 -60.07 -38.19 82.15 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.146 -0.479 . . . . 26.68 110.808 178.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -49.86 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 46.58 112.077 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -54.8 -53.15 58.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.901 0.704 . . . . 28.97 112.901 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -62.26 -37.95 87.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.615 -0.434 . . . . 22.72 111.79 -179.86 -64.786 -56.882 -80.664 105.072 2.026 103.517 -49.175 -72.068 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -58.93 -43.79 91.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.52 -0.872 . . . . 37.84 109.649 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.8 ' HB1' ' O ' ' A' ' 111' ' ' HOH . . . -60.7 -55.82 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.577 -0.897 . . . . 30.66 108.577 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 44.4 tp -51.24 -49.42 61.15 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.7 -0.682 . . . . 27.23 112.242 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.55 -48.87 73.45 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.98 -0.555 . . . . 24.13 111.354 179.413 -67.627 -67.707 -85.03 102.526 2.026 105.064 -42.424 -64.2 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 p -62.07 -43.55 98.59 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.678 -0.809 . . . . 33.9 111.492 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -55.5 -30.32 60.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.731 -0.788 . . . . 44.96 110.661 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 71.4 mmtt -89.98 17.99 6.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.262 -0.426 . . . . 36.57 110.917 -179.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt 73.6 17.58 3.7 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 115.806 1.78 . . . . 48.67 115.806 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.93 171.82 55.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 109.102 -1.599 . . . . 39.14 109.102 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.81 -41.06 27.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.221 -1.029 . . . . 44.13 108.221 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -169.08 175.07 5.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 35.17 110.637 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.96 163.38 29.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.322 -0.942 . . . . 29.53 111.268 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.68 158.99 43.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.363 -0.606 . . . . 22.73 109.363 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.853 ' H ' HD22 ' A' ' 19' ' ' ASN . 45.3 t -96.43 116.4 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.238 -0.585 . . . . 26.86 109.596 179.587 -177.013 67.537 92.359 104.563 2.04 106.348 85.176 58.516 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -91.31 108.2 19.72 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.61 -0.515 . . . . 33.72 109.61 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' HA ' HG13 ' A' ' 44' ' ' VAL . 17.3 m0 -68.99 -31.2 69.86 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.902 2.186 . . . . 49.89 116.902 -178.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' HB2' ' OD1' ' B' ' 20' ' ' ASN . 16.3 m95 -116.59 80.17 1.43 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.364 1.246 . . . . 49.83 114.364 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG12 ' HD2' ' A' ' 41' ' ' PRO . 30.3 t -118.46 164.74 18.98 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 108.006 -1.109 . . . . 35.98 108.006 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.607 ' HD2' HG12 ' A' ' 40' ' ' VAL . 91.2 Cg_exo -66.92 -11.89 33.94 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 117.847 -0.968 . . . . 32.23 113.79 -179.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -107.47 2.18 24.03 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.157 0.799 . . . . 28.08 113.157 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 95' ' ' HOH . . . 110.98 -148.44 17.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.91 -1.276 . . . . 31.05 109.91 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 38' ' ' TRP . 11.2 t -91.24 103.22 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 106.539 -1.652 . . . . 32.18 106.539 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.26 159.63 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 116.568 2.062 . . . . 24.95 116.568 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.1 m -73.08 132.98 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 115.345 1.609 . . . . 23.96 115.345 -179.543 -72.068 -49.175 -80.664 103.517 2.026 105.072 -56.882 -64.786 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -114.89 138.49 50.74 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 105.055 -2.202 . . . . 32.3 105.055 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.61 146.51 46.91 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 120.809 0.337 . . . . 27.7 111.131 -179.868 -64.2 -42.424 -85.03 105.064 2.026 102.526 -67.707 -67.627 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -104.88 133.99 48.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.178 -0.675 . . . . 58.05 109.178 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 49.04 61.6 3.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.652 0.982 . . . . 49.61 113.652 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -93.51 137.26 23.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 106.094 -1.817 . . . . 39.35 106.094 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.666 ' HB2' ' HD2' ' A' ' 54' ' ' PRO . 72.6 Cg_exo -64.69 164.83 22.66 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.718 2.279 . . . . 43.17 113.417 -179.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . 0.531 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 66.8 p -71.17 -26.12 0.89 Allowed Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 113.659 0.985 . . . . 46.37 113.659 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.666 ' HD2' ' HB2' ' A' ' 52' ' ' PRO . 73.8 Cg_exo -62.22 -17.23 55.77 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 117.889 -0.941 . . . . 44.33 110.403 179.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.35 125.24 33.42 Favored Pre-proline 0 C--O 1.233 0.235 0 N-CA-C 112.798 0.666 . . . . 39.71 112.798 -178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -69.71 155.79 65.19 Favored 'Trans proline' 0 CA--C 1.536 0.616 1 C-N-CA 126.198 4.599 . . . . 36.58 115.548 -179.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.6 pt -135.57 151.52 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.215 -1.772 . . . . 32.86 106.215 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -49.97 131.47 22.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.527 0.566 . . . . 27.12 112.527 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.917 ' H ' HD21 ' A' ' 11' ' ' ASN . . . -122.98 177.9 16.45 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.176 -1.57 . . . . 26.11 109.176 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.8 t -62.4 137.82 58.33 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 113.865 1.061 . . . . 31.88 113.865 -179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.19 -159.46 13.75 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 116.955 1.542 . . . . 25.28 116.955 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.38 159.94 15.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 117.75 2.5 . . . . 28.99 117.75 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 119.46 39.58 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 103.526 -2.768 . . . . 29.54 103.526 177.845 147.827 68.443 94.017 104.059 2.032 103.734 -88.394 -51.485 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.581 ' H ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.295 1.221 . . . . 47.3 114.295 -178.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 112.391 -0.284 . . . . 54.0 112.391 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -121.09 165.22 15.63 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 109.799 -0.445 . . . . 49.92 109.799 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -117.99 155.04 30.96 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.021 0.529 . . . . 45.09 110.5 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.84 -173.81 28.66 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 117.23 1.652 . . . . 40.45 117.23 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -90.82 107.03 18.92 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 108.411 -0.959 . . . . 32.72 108.411 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.5 tt -54.03 139.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.514 0.509 . . . . 27.07 109.949 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.11 161.9 32.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 26.22 110.543 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -84.08 -172.38 4.13 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.462 -1.681 . . . . 29.36 106.462 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.39 -15.17 63.23 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 119.548 -1.311 . . . . 33.48 114.961 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -101.19 17.9 21.28 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 115.01 1.485 . . . . 38.48 115.01 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.638 HD21 ' H ' ' B' ' 59' ' ' GLY . 6.3 t-20 68.79 32.48 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.63 0.974 . . . . 24.16 113.63 179.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -112.94 135.51 53.63 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.028 -0.36 . . . . 22.3 110.028 179.375 -55.928 -89.02 92.065 104.115 2.027 103.95 60.828 149.405 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 78.6 p -85.24 177.56 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.733 -0.469 . . . . 22.32 109.733 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' B' ' 45' ' ' VAL . 15.6 m-85 -108.95 124.68 51.06 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 114.775 1.398 . . . . 25.82 114.775 -178.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.525 HD13 ' O ' ' B' ' 69' ' ' HOH . 2.8 mp -69.26 135.37 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.572 -0.899 . . . . 35.62 108.572 179.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -140.99 179.81 6.51 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 119.858 -0.737 . . . . 24.23 111.555 179.77 57.974 82.182 91.012 103.489 2.031 102.363 62.471 -176.115 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.5 m -145.22 -47.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.072 -1.455 . . . . 26.66 107.072 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -109.02 143.53 38.19 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 115.647 1.721 . . . . 31.94 115.647 -178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -58.57 -42.61 88.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.921 -0.582 . . . . 25.82 111.733 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.416 ' OD1' ' HB2' ' A' ' 39' ' ' TRP . 13.4 t-20 -49.64 -42.62 45.62 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.08 0.77 . . . . 35.79 113.08 -179.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -66.75 -46.58 74.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.948 -0.301 . . . . 27.64 111.766 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 90.5 m -63.61 -35.75 81.53 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 112.745 0.646 . . . . 25.53 112.745 -179.637 -70.225 -53.908 -84.733 103.953 2.032 102.937 -46.052 -74.023 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -63.31 -42.22 99.0 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.512 -0.767 . . . . 53.9 110.245 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.72 -49.29 63.37 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.404 -0.591 . . . . 27.35 109.404 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.3 -50.5 67.19 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.43 -0.508 . . . . 28.33 110.417 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 86.9 m -60.47 -51.96 67.23 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.2 -0.6 . . . . 34.91 111.844 -179.473 -67.128 -75.488 -87.355 105.027 2.032 106.126 -48.247 -59.184 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -61.65 -25.47 67.4 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.809 1.04 . . . . 41.84 113.809 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.88 -7.85 52.84 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.666 -0.864 . . . . 58.44 108.666 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -116.95 20.66 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.764 -0.653 . . . . 54.73 110.562 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HG2' ' B' ' 52' ' ' PRO . 70.0 mmtt 71.39 11.75 6.65 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 117.267 2.321 . . . . 55.46 117.267 178.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.86 167.55 54.71 Favored Glycine 0 CA--C 1.519 0.317 0 N-CA-C 106.621 -2.592 . . . . 47.01 106.621 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.11 -55.18 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.274 1.037 . . . . 53.32 111.873 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -146.03 177.16 9.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 111.988 0.366 . . . . 45.11 111.988 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.82 31.27 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.926 -0.579 . . . . 38.08 114.473 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 73' ' ' HOH . . . -158.45 153.36 25.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.877 0.37 . . . . 30.57 110.649 179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' B' ' 44' ' ' VAL . 42.2 t -92.61 111.66 23.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.774 -0.648 . . . . 24.36 110.296 179.159 -176.115 62.471 91.012 102.363 2.031 103.489 82.182 57.974 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -90.39 109.28 20.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 34.32 109.474 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.831 ' HA ' HG23 ' B' ' 44' ' ' VAL . 50.1 m0 -69.16 -41.39 77.31 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 119.022 2.971 . . . . 31.84 119.022 -178.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -105.38 87.84 2.71 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.295 0.569 . . . . 41.38 112.085 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.721 ' CG1' ' H ' ' B' ' 42' ' ' TYR . 1.0 OUTLIER -131.25 159.81 69.94 Favored Pre-proline 0 N--CA 1.447 -0.578 0 CA-C-N 115.462 -0.79 . . . . 30.59 110.928 -178.002 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' B' ' 40' ' ' VAL . 86.8 Cg_exo -62.42 -25.79 76.31 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 N-CA-C 110.036 -0.794 . . . . 28.38 110.036 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . 0.721 ' H ' ' CG1' ' B' ' 40' ' ' VAL . 1.1 m-85 -96.17 10.09 38.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.831 1.049 . . . . 28.88 113.831 -178.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.34 -150.36 19.37 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 108.203 -1.959 . . . . 23.5 108.203 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' B' ' 38' ' ' TRP . 13.5 p -97.77 102.81 13.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 107.625 -1.25 . . . . 23.64 107.625 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' B' ' 14' ' ' TYR . 22.8 m -126.23 167.88 20.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 115.248 1.573 . . . . 21.56 115.248 -177.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.07 140.81 39.1 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.859 1.059 . . . . 23.44 113.859 179.38 -74.023 -46.052 -84.733 102.937 2.032 103.953 -53.908 -70.225 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' B' ' 49' ' ' GLU . 90.1 t90 -121.51 133.58 55.04 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.67 -1.233 . . . . 40.02 107.67 178.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -114.71 153.19 30.71 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.783 0.66 . . . . 37.26 112.783 179.592 -59.184 -48.247 -87.355 106.126 2.032 105.027 -75.488 -67.128 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' B' ' 47' ' ' TRP . 34.1 tt0 -116.56 134.47 54.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.531 -0.914 . . . . 49.97 108.531 178.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.17 63.28 2.05 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.713 0.635 . . . . 38.12 112.713 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -96.75 140.97 22.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.287 -0.635 . . . . 37.31 109.287 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.489 ' HB2' ' HD2' ' B' ' 54' ' ' PRO . 72.9 Cg_exo -64.25 143.69 84.21 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 121.819 1.679 . . . . 41.76 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . 0.489 ' N ' ' CD ' ' B' ' 54' ' ' PRO . 86.3 m -50.66 -27.68 1.64 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.644 0.979 . . . . 42.87 113.644 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' B' ' 52' ' ' PRO . 68.8 Cg_exo -62.12 -37.03 66.44 Favored 'Trans proline' 0 C--N 1.343 0.248 0 N-CA-C 113.846 0.672 . . . . 45.57 113.846 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.38 132.21 56.37 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.903 0.382 . . . . 37.77 111.97 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 124.252 3.302 . . . . 34.48 114.309 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 48.2 pt -126.91 158.41 37.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.136 -2.172 . . . . 29.24 105.136 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -63.1 128.22 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.264 0.838 . . . . 26.04 113.264 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.638 ' H ' HD21 ' B' ' 11' ' ' ASN . . . -122.92 173.28 16.11 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 108.708 -1.757 . . . . 26.36 108.708 178.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 82.8 p -59.51 147.73 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 117.616 0.708 . . . . 37.51 111.084 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.65 -168.79 14.01 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 119.411 -1.376 . . . . 32.83 112.1 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -95.49 156.73 16.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 117.344 2.35 . . . . 37.19 117.344 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.45 119.6 38.26 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 104.116 -2.55 . . . . 24.2 104.116 177.492 149.405 60.828 92.065 103.95 2.027 104.115 -89.02 -55.928 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' B' ' 64' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.166 0 CA-C-O 117.334 -1.317 . . . . 51.37 114.299 -178.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . 0.607 ' O ' ' HA3' ' A' ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . 0.8 ' O ' ' HB1' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . 0.525 ' O ' HD13 ' B' ' 15' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . 0.571 ' O ' ' HB2' ' B' ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_