data_1pzq_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 1pzq _Structure_validation_residue.Date_analyzed 2016-10-06 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 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.666 ' H ' ' HB3' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.215 0.531 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.737 HG23 ' N ' ' A' ' 11' ' ' GLY . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.737 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.623 ' HB3' HG11 ' A' ' 8' ' ' VAL . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.664 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.742 ' HG ' HD13 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 HD12 ' B' ' 17' ' ' LEU . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.904 HD11 HD12 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.479 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.812 ' HB3' HG22 ' A' ' 33' ' ' VAL . 84.4 m-70 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' GLY . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.812 HG22 ' HB3' ' A' ' 30' ' ' HIS . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.58 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.716 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.748 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.806 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.675 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 65.0 m-80 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.805 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' B' ' 9' ' ' ASP . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.647 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.452 ' HB3' HG11 ' B' ' 8' ' ' VAL . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.57 ' HB2' HD11 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.615 HD23 HD23 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.801 HD12 HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.705 ' HB2' HD22 ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' H ' ' A' ' 7' ' ' ALA . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.605 HD11 ' O ' ' B' ' 17' ' ' LEU . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.805 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.538 ' HB2' ' HE2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.806 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.493 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.72 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.59 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 36' ' ' ARG . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.519 ' CE3' ' HG ' ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.666 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 76.6 m-20 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.666 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.72 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.516 -0.343 0 CA-C-O 121.229 0.538 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.7 HG23 ' H ' ' A' ' 11' ' ' GLY . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.7 ' H ' HG23 ' A' ' 10' ' ' ILE . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.696 ' NH2' ' HG ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' B' ' 17' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.907 ' HA ' ' HE ' ' B' ' 13' ' ' ARG . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB1' ' H ' ' B' ' 7' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.918 HD11 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.423 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.72 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.733 ' HB3' HG23 ' A' ' 33' ' ' VAL . 86.1 m-70 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 29' ' ' GLY . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.834 HD13 HD23 ' B' ' 41' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 37' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.775 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.671 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.539 ' H ' ' HB1' ' A' ' 20' ' ' ALA . . . . . . . . 0 C--O 1.232 0.147 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' B' ' 10' ' ' ILE . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.667 ' O ' HG23 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.735 ' H ' HG23 ' B' ' 10' ' ' ILE . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.907 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.604 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' A' ' 14' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.72 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.598 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.664 ' HB2' ' HE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.671 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.664 ' HE2' ' HB2' ' B' ' 27' ' ' GLU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.775 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.44 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.497 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.749 HD11 HD22 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.834 HD23 HD13 ' A' ' 37' ' ' LEU . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.622 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.72 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.603 ' H ' ' HB3' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' HG21 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 13' ' ' ARG . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.668 ' N ' HG21 ' A' ' 10' ' ' ILE . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.882 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.598 ' HG ' HD21 ' B' ' 17' ' ' LEU . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.792 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.755 ' HB2' HD23 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.792 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.663 ' HA ' ' H ' ' B' ' 7' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.86 HD11 HD11 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.529 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.724 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.821 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.6 m-70 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' GLY . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.799 HD13 HD13 ' B' ' 41' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.674 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.608 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.674 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 62.1 m-80 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.87 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.541 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.663 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.517 ' O ' HG21 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.68 ' N ' HG21 ' B' ' 10' ' ' ILE . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.579 ' HB3' HG11 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.788 HD23 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.767 HD23 HD13 ' A' ' 17' ' ' LEU . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.603 ' HB3' ' H ' ' A' ' 7' ' ' ALA . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.759 HD11 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' B' ' 26' ' ' ALA . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.87 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.541 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.635 ' HB3' HG23 ' B' ' 33' ' ' VAL . 64.7 m-70 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.765 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.799 HD13 HD13 ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 25' ' ' SER . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.418 HD22 ' HG ' ' B' ' 41' ' ' LEU . 76.3 m-20 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.724 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.837 ' H ' ' HB2' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.379 0.609 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.827 HG21 HG21 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.649 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.534 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.734 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.771 HD11 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB2' HD23 ' B' ' 40' ' ' LEU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.768 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD21 HD12 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' ALA . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.758 ' HB3' HG22 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 29' ' ' GLY . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.787 HG21 HG21 ' B' ' 10' ' ' ILE . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.83 HD11 HD23 ' B' ' 41' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.853 HD13 HD23 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.761 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 61.9 m-80 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.71 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.997 0.427 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.533 ' CG1' ' HG3' ' B' ' 13' ' ' ARG . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.596 ' O ' HG23 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 33' ' ' VAL . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.61 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' B' ' 9' ' ' ASP . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.533 ' HG3' ' CG1' ' B' ' 8' ' ' VAL . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.771 HD22 HD11 ' A' ' 17' ' ' LEU . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.715 HD12 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.837 ' HB2' ' H ' ' A' ' 7' ' ' ALA . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.803 HD13 HG11 ' B' ' 33' ' ' VAL . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 26' ' ' ALA . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.71 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' B' ' 33' ' ' VAL . 66.7 m-70 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.827 HG21 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.443 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.853 HD23 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.489 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 37' ' ' LEU . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.607 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.483 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.0 m-80 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HA ' HD23 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.363 0.601 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.878 HD12 ' HG3' ' A' ' 13' ' ' ARG . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 HD22 ' B' ' 17' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' ' HB1' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.779 HD11 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 20' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.888 HD11 HD11 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.825 ' HB3' HG22 ' A' ' 33' ' ' VAL . 76.2 m-70 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' HIS . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.594 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.72 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HD23 ' B' ' 41' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' N ' HD13 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.777 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' LEU . 62.7 m-80 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.8 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.497 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.418 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.397 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 8' ' ' VAL . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.888 HD11 HD11 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.645 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.585 ' HB3' HG12 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.606 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.745 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.811 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.533 ' HB3' ' H ' ' A' ' 7' ' ' ALA . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 26' ' ' ALA . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.8 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.635 ' HB3' HG22 ' B' ' 33' ' ' VAL . 55.8 m-70 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.497 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.788 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.508 ' O ' HD12 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 40' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.548 ' CA ' HD13 ' A' ' 41' ' ' LEU . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 17' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.798 HD23 HD12 ' A' ' 37' ' ' LEU . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 48' ' ' ARG . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.414 0 CA-C-O 121.5 0.666 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 13' ' ' ARG . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.647 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.553 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.885 ' HG3' HD11 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.781 HD21 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.771 HD22 HD22 ' B' ' 17' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.546 ' O ' ' HB1' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.878 HD11 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.5 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.804 ' HB3' HG22 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' GLY . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 30' ' ' HIS . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 HD21 ' B' ' 41' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' HD12 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.821 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.782 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' LEU . 65.9 m-80 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.893 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.967 0.413 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' B' ' 8' ' ' VAL . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.878 HD13 HD11 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.712 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.553 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.517 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 40' ' ' LEU . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 17' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.526 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' B' ' 16' ' ' GLU . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.703 HD21 HD12 ' B' ' 17' ' ' LEU . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 7' ' ' ALA . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.893 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.713 ' HB3' HG22 ' B' ' 33' ' ' VAL . 61.1 m-70 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.788 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 40' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.544 ' CA ' HD12 ' A' ' 41' ' ' LEU . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.781 HD11 HD21 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 37' ' ' LEU . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.691 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.644 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.581 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.7 m-80 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.691 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.794 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG13 HH11 ' A' ' 13' ' ' ARG . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.549 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 11' ' ' GLY . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.774 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.731 HH11 HG13 ' A' ' 8' ' ' VAL . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD22 HD12 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD22 HD12 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.736 ' HB3' HG22 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 29' ' ' GLY . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.752 HG21 HG22 ' B' ' 10' ' ' ILE . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.639 ' HG2' HH11 ' A' ' 36' ' ' ARG . 0.3 OUTLIER -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.841 HD11 HD23 ' B' ' 41' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.65 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 HD23 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.658 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.772 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 61.4 m-80 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.451 ' H ' ' HB1' ' A' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.575 HG13 HH11 ' B' ' 13' ' ' ARG . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.752 HG22 HG21 ' A' ' 33' ' ' VAL . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.687 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.525 ' OD1' ' HB2' ' B' ' 9' ' ' ASP . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.575 HH11 HG13 ' B' ' 8' ' ' VAL . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.672 HD21 ' HG ' ' A' ' 37' ' ' LEU . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.778 HD22 HD21 ' B' ' 21' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.794 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.778 HD21 HD22 ' B' ' 17' ' ' LEU . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.643 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.791 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.643 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 68.8 m-70 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.772 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.437 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.804 HD23 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.473 ' CA ' HD13 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 37' ' ' LEU . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.1 m-80 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.667 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 121.125 0.488 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.855 HG22 HG23 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.724 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.884 HH11 ' HB3' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB2' HD23 ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB3' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.707 HD21 HD12 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.694 ' HB3' HG21 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.723 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.906 HG23 HG22 ' B' ' 10' ' ' ILE . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.573 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.723 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.683 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.82 HD13 HD21 ' B' ' 41' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD21 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.757 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' LEU . 67.7 m-80 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.568 ' CG1' ' HG3' ' B' ' 13' ' ' ARG . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.541 ' O ' HG21 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.906 HG22 HG23 ' A' ' 33' ' ' VAL . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.618 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.695 HH11 ' HB3' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.661 HD23 HD22 ' A' ' 17' ' ' LEU . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.438 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.884 ' HB3' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.794 HD12 HG13 ' B' ' 33' ' ' VAL . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.637 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.637 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 74.7 m-70 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.855 HG23 HG22 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.535 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.82 HD21 HD13 ' A' ' 37' ' ' LEU . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' B' ' 42' ' ' ARG . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.609 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' TRP . . . . . 0.661 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.478 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.2 m-80 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.65 134.27 56.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.82 135.13 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.99 -139.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 51.1 m 64.5 128.19 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.791 ' HA ' HH21 ' A' ' 13' ' ' ARG . 8.1 Cg_exo -71.38 -167.39 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.497 2.131 . . . . 0.0 112.248 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.666 ' H ' ' HB3' ' B' ' 20' ' ' ALA . . . 44.0 42.91 5.08 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.442 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.737 HG23 ' N ' ' A' ' 11' ' ' GLY . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.737 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.623 ' HB3' HG11 ' A' ' 8' ' ' VAL . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.791 HH21 ' HA ' ' A' ' 6' ' ' PRO . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.742 ' HG ' HD13 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD22 HD12 ' B' ' 17' ' ' LEU . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.799 HD11 HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.904 HD11 HD12 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.479 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.812 ' HB3' HG22 ' A' ' 33' ' ' VAL . 84.4 m-70 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' GLY . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.716 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.812 HG22 ' HB3' ' A' ' 30' ' ' HIS . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.58 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.716 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.748 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD11 HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.598 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.806 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.675 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 65.0 m-80 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.805 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.675 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.05 70.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 84.19 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.982 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.42 133.8 2.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.26 137.54 56.69 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.721 2.281 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.3 p -60.0 142.78 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -165.6 -41.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.8 m -163.1 -49.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.33 44.11 29.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.6 133.09 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.8 m -64.36 136.67 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.32 134.76 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.78 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.67 133.94 56.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 133.64 55.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.01 -139.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m 63.59 127.02 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.14 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.532 ' HA ' HH21 ' B' ' 13' ' ' ARG . 14.1 Cg_exo -68.7 -159.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 111.824 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 43.58 37.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' B' ' 9' ' ' ASP . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.557 ' O ' HG23 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.904 HD12 HD11 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.647 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.452 ' HB3' HG11 ' B' ' 8' ' ' VAL . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.57 ' HB2' HD11 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.615 HD23 HD23 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.801 HD12 HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.705 ' HB2' HD22 ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.735 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.605 HD11 ' O ' ' B' ' 17' ' ' LEU . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.805 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.538 ' HB2' ' HE2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.806 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.493 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.72 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.59 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' B' ' 36' ' ' ARG . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.757 HD13 HD11 ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.519 ' CE3' ' HG ' ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.666 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 76.6 m-20 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.666 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.57 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.16 93.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.511 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 134.16 0.77 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.66 136.12 48.34 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.43 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 80.2 p -59.46 142.52 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -164.87 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.33 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 62.1 m -162.9 -49.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.53 43.89 29.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.31 132.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.7 m -64.39 136.16 56.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.26 134.78 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.812 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -79.05 43.94 0.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.72 136.01 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.17 135.5 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.552 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 90.6 p -174.8 57.35 0.19 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.696 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 5.7 Cg_endo -84.81 155.77 11.68 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.959 2.439 . . . . 0.0 113.114 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.72 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.97 36.72 24.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.974 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.7 HG23 ' H ' ' A' ' 11' ' ' GLY . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.7 ' H ' HG23 ' A' ' 10' ' ' ILE . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.696 ' NH2' ' HG ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' B' ' 17' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.907 ' HA ' ' HE ' ' B' ' 13' ' ' ARG . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB1' ' H ' ' B' ' 7' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.918 HD11 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.423 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.72 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.733 ' HB3' HG23 ' A' ' 33' ' ' VAL . 86.1 m-70 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 29' ' ' GLY . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.834 HD13 HD23 ' B' ' 41' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 37' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.775 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 43' ' ' ARG . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.671 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.74 75.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 47.42 37.78 6.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.242 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . . . -177.68 132.76 0.34 Allowed Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 51' ' ' ALA . 25.6 Cg_exo -62.73 130.42 29.52 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.481 2.12 . . . . 0.0 112.093 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.0 p -177.13 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.55 136.32 0.34 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 m -60.61 130.57 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.35 -138.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 tt -174.14 136.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -173.39 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.45 135.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.076 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -78.89 43.1 0.48 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.309 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.11 136.73 58.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 134.55 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.55 ' N ' ' HD3' ' B' ' 6' ' ' PRO . 47.6 t -171.14 53.85 0.2 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.55 ' HD3' ' N ' ' B' ' 5' ' ' SER . 83.0 Cg_endo -88.82 153.99 6.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.928 2.419 . . . . 0.0 112.879 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.539 ' H ' ' HB1' ' A' ' 20' ' ' ALA . . . 65.08 30.36 11.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.776 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' B' ' 10' ' ' ILE . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.667 ' O ' HG23 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.918 HD13 HD11 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.735 ' H ' HG23 ' B' ' 10' ' ' ILE . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.907 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.604 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' A' ' 14' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.72 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.598 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.664 ' HB2' ' HE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.671 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.664 ' HE2' ' HB2' ' B' ' 27' ' ' GLU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.775 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.44 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.497 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.749 HD11 HD22 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.834 HD23 HD13 ' A' ' 37' ' ' LEU . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.622 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.72 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.46 96.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 54.34 39.91 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' B' ' 52' ' ' PRO . . . -179.4 130.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 51' ' ' ALA . 27.6 Cg_exo -62.03 130.59 31.37 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.549 2.166 . . . . 0.0 112.024 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -176.48 -140.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.4 136.81 0.36 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -60.5 130.1 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.6 -138.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 15.9 tt -175.54 136.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.027 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -172.92 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.36 136.9 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.774 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 64.56 134.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.357 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.47 -139.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -46.32 88.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.281 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.48 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 14.2 t 58.09 59.42 6.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' B' ' 20' ' ' ALA . 13.1 Cg_exo -65.93 -166.7 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.201 1.934 . . . . 0.0 112.288 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.603 ' H ' ' HB3' ' B' ' 20' ' ' ALA . . . 46.4 41.0 8.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 9' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' HG21 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.882 HD12 ' HG3' ' A' ' 13' ' ' ARG . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.668 ' N ' HG21 ' A' ' 10' ' ' ILE . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.882 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.598 ' HG ' HD21 ' B' ' 17' ' ' LEU . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.792 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.755 ' HB2' HD23 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.792 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.663 ' HA ' ' H ' ' B' ' 7' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.86 HD11 HD11 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.529 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.724 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.821 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.6 m-70 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' GLY . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.799 HD13 HD13 ' B' ' 41' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.674 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.608 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.674 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 48' ' ' ARG . 62.1 m-80 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.87 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.541 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.32 72.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 48.28 41.31 15.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.16 62.26 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' A' ' 53' ' ' SER . 44.4 Cg_endo -67.59 -135.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.692 2.261 . . . . 0.0 112.459 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 52' ' ' PRO . 44.0 t -168.83 51.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.7 t -167.6 -39.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 m -59.32 -43.39 92.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.25 137.96 58.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 57' ' ' ILE . 2.4 pp -58.02 148.41 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.68 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.3 m -69.99 -138.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -150.67 44.24 0.84 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.886 0.374 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.875 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 64.68 133.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.97 -139.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.29 97.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m 56.22 56.06 9.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.195 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.614 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 28.0 Cg_endo -64.74 -159.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.047 1.831 . . . . 0.0 111.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.663 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 46.75 35.75 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.517 ' O ' HG21 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.86 HD11 HD11 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.68 ' N ' HG21 ' B' ' 10' ' ' ILE . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.579 ' HB3' HG11 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.788 HD23 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.767 HD23 HD13 ' A' ' 17' ' ' LEU . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.603 ' HB3' ' H ' ' A' ' 7' ' ' ALA . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.759 HD11 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' B' ' 26' ' ' ALA . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.87 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.541 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.635 ' HB3' HG23 ' B' ' 33' ' ' VAL . 64.7 m-70 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.765 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.799 HD13 HD13 ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 25' ' ' SER . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.418 HD22 ' HG ' ' B' ' 41' ' ' LEU . 76.3 m-20 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.724 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.25 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 55.43 45.3 25.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 58.97 0.25 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.071 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.469 ' HB2' ' H ' ' B' ' 53' ' ' SER . 37.8 Cg_endo -65.36 -134.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.59 2.193 . . . . 0.0 112.404 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.469 ' H ' ' HB2' ' B' ' 52' ' ' PRO . 43.7 t -168.88 51.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.6 t -167.84 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.02 138.01 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.444 ' C ' HD13 ' B' ' 57' ' ' ILE . 2.6 pp -57.21 146.87 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.437 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.8 t -68.82 -137.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -151.68 44.66 0.76 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 0.0 110.773 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.19 -141.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.23 134.41 0.54 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.05 44.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.445 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.674 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 80.4 p -67.64 -42.84 37.82 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 5' ' ' SER . 4.1 Cg_endo -51.63 162.5 1.57 Allowed 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.924 1.749 . . . . 0.0 112.816 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.837 ' H ' ' HB2' ' B' ' 20' ' ' ALA . . . 61.48 40.94 13.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.803 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.827 HG21 HG21 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.649 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.734 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.771 HD11 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.623 ' HB2' HD23 ' B' ' 40' ' ' LEU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.768 HD12 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD21 HD12 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 23' ' ' ALA . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.758 ' HB3' HG22 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 29' ' ' GLY . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.787 HG21 HG21 ' B' ' 10' ' ' ILE . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.83 HD11 HD23 ' B' ' 41' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.853 HD13 HD23 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.761 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 61.9 m-80 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.71 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.78 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.12 47.92 1.18 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.06 132.42 74.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.269 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.31 -36.86 85.94 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.92 2.414 . . . . 0.0 112.553 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.8 p -76.36 50.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.469 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.6 p -58.54 137.39 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -170.9 44.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.777 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.44 44.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.219 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.68 135.12 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.6 p -69.23 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.86 134.85 57.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.8 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -68.66 -139.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.743 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.79 135.17 0.38 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.63 39.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.513 ' HB3' ' HD3' ' B' ' 6' ' ' PRO . 45.3 t -62.52 -46.55 89.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' B' ' 5' ' ' SER . 50.1 Cg_exo -52.25 159.6 4.1 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.274 1.982 . . . . 0.0 112.25 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . 65.2 38.75 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.533 ' CG1' ' HG3' ' B' ' 13' ' ' ARG . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.596 ' O ' HG23 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.787 HG21 HG21 ' A' ' 33' ' ' VAL . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.61 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.529 ' OD1' ' HB2' ' B' ' 9' ' ' ASP . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.533 ' HG3' ' CG1' ' B' ' 8' ' ' VAL . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.771 HD22 HD11 ' A' ' 17' ' ' LEU . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.715 HD12 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.837 ' HB2' ' H ' ' A' ' 7' ' ' ALA . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.803 HD13 HG11 ' B' ' 33' ' ' VAL . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 26' ' ' ALA . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.71 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' B' ' 33' ' ' VAL . 66.7 m-70 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.827 HG21 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.443 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.595 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.853 HD23 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.489 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.734 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.83 HD23 HD11 ' A' ' 37' ' ' LEU . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.607 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.483 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.0 m-80 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.9 97.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -79.84 47.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 133.37 70.33 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.35 -35.15 97.34 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.766 2.31 . . . . 0.0 112.188 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -75.96 49.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.552 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 69.3 p -60.16 137.12 58.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.045 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -171.39 44.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.68 45.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 tp -60.36 136.75 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -68.67 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.34 135.35 57.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.802 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t 57.51 45.58 19.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.9 -138.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.16 -140.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -175.62 56.47 0.15 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 9.9 Cg_endo -55.64 157.09 16.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.501 2.134 . . . . 0.0 112.896 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.555 ' HA ' HD23 ' B' ' 24' ' ' LEU . . . 61.57 38.49 15.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.484 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 9' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.878 HD12 ' HG3' ' A' ' 13' ' ' ARG . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 HD22 ' B' ' 17' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' ' HB1' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.779 HD11 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 20' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.888 HD11 HD11 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.825 ' HB3' HG22 ' A' ' 33' ' ' VAL . 76.2 m-70 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' HIS . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.594 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.72 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.798 HD12 HD23 ' B' ' 41' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' N ' HD13 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.777 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' LEU . 62.7 m-80 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.8 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.39 71.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.3 82.85 0.14 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.46 134.29 1.84 Allowed Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.41 137.28 54.78 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.665 2.244 . . . . 0.0 112.422 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -59.05 139.43 56.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -55.96 137.03 51.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.421 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -61.94 138.93 58.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.2 -45.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.55 135.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -65.66 -52.8 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -68.95 136.82 53.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.056 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.692 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t 57.14 45.92 19.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.87 -137.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.14 -138.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.641 0.258 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -172.34 57.12 0.23 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.38 153.57 40.1 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.418 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 65.54 34.5 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 8' ' ' VAL . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.888 HD11 HD11 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.645 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.585 ' HB3' HG12 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.606 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.745 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.811 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.645 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.649 HD23 HD13 ' B' ' 17' ' ' LEU . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 26' ' ' ALA . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.8 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.635 ' HB3' HG22 ' B' ' 33' ' ' VAL . 55.8 m-70 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.497 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.788 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.508 ' O ' HD12 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 40' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.548 ' CA ' HD13 ' A' ' 41' ' ' LEU . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 17' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.798 HD23 HD12 ' A' ' 37' ' ' LEU . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' B' ' 48' ' ' ARG . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.27 94.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.68 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.936 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.73 134.52 1.23 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.05 137.87 59.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.636 2.224 . . . . 0.0 112.379 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -58.61 139.58 55.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -56.98 135.36 56.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -60.31 138.26 57.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.971 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.35 -45.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.68 135.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -66.15 -52.73 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.03 135.58 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.854 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 p -171.86 46.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.08 133.82 55.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 47.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.537 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.586 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 69.7 m -61.92 -50.3 81.67 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.658 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 5' ' ' SER . 10.7 Cg_endo -56.4 155.0 27.06 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.09 1.86 . . . . 0.0 112.548 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' B' ' 24' ' ' LEU . . . 60.75 35.84 19.5 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.063 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 13' ' ' ARG . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.647 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.553 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.885 ' HG3' HD11 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.781 HD21 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.771 HD22 HD22 ' B' ' 17' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.546 ' O ' ' HB1' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.878 HD11 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.5 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.804 ' HB3' HG22 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 29' ' ' GLY . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 30' ' ' HIS . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 HD21 ' B' ' 41' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' HD12 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.643 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.821 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.782 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' LEU . 65.9 m-80 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.893 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.98 66.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -78.6 46.28 0.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.282 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.76 133.29 0.81 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -77.23 44.11 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.733 2.289 . . . . 0.0 112.654 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.7 m 57.68 48.57 13.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.1 p -56.98 137.16 55.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -171.3 137.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.15 44.28 16.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -61.98 134.04 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.837 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.489 ' N ' HD13 ' A' ' 57' ' ' ILE . 45.0 t -171.68 45.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.737 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.0 135.63 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -163.37 44.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.34 133.29 55.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 43.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.632 ' N ' ' HD2' ' B' ' 6' ' ' PRO . 33.1 t -60.02 -49.17 92.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' B' ' 5' ' ' SER . 18.6 Cg_endo -59.81 153.84 53.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.31 2.007 . . . . 0.0 111.932 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 23' ' ' ALA . . . 64.48 33.15 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' B' ' 8' ' ' VAL . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.878 HD13 HD11 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.712 ' N ' HG22 ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.553 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.517 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 40' ' ' LEU . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 17' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.526 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.703 HD21 HD12 ' B' ' 17' ' ' LEU . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 7' ' ' ALA . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.893 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.713 ' HB3' HG22 ' B' ' 33' ' ' VAL . 61.1 m-70 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.788 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.539 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 40' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.544 ' CA ' HD12 ' A' ' 41' ' ' LEU . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.781 HD11 HD21 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 37' ' ' LEU . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.691 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.644 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.581 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.7 m-80 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.691 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.63 78.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -76.81 46.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.69 132.44 0.92 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.03 44.55 1.49 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.748 2.299 . . . . 0.0 112.624 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.6 m 57.46 48.16 15.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -56.65 136.96 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.6 t -171.78 136.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.54 45.95 12.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.243 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 tt -60.05 139.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -174.38 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.69 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.26 134.61 56.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.89 -44.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.04 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 134.24 56.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -175.47 135.24 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.669 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.579 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 3.7 Cg_exo -72.71 164.92 34.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.137 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.794 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.64 37.07 25.34 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG13 HH11 ' A' ' 13' ' ' ARG . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.549 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.774 HG23 ' N ' ' A' ' 11' ' ' GLY . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.774 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 9' ' ' ASP . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.731 HH11 HG13 ' A' ' 8' ' ' VAL . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD22 HD12 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD22 HD12 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 31' ' ' ASP . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' HB3' HG22 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 29' ' ' GLY . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.752 HG21 HG22 ' B' ' 10' ' ' ILE . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.639 ' HG2' HH11 ' A' ' 36' ' ' ARG . 0.3 OUTLIER -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.841 HD11 HD23 ' B' ' 41' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' HD13 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.65 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 HD23 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.659 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.772 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 61.4 m-80 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -35.13 69.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.0 48.45 0.98 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.51 133.6 82.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 111.348 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.01 134.37 64.04 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.155 2.57 . . . . 0.0 112.337 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t 56.43 -135.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.9 m -163.25 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -174.03 43.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.2 44.97 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.344 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m 56.86 -138.79 0.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.024 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.94 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.01 134.6 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -173.56 131.88 0.57 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.72 161.3 39.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 112.077 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.451 ' H ' ' HB1' ' A' ' 20' ' ' ALA . . . 62.06 36.36 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.575 HG13 HH11 ' B' ' 13' ' ' ARG . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.563 ' O ' HG23 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.752 HG22 HG21 ' A' ' 33' ' ' VAL . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.687 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.525 ' OD1' ' HB2' ' B' ' 9' ' ' ASP . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.575 HH11 HG13 ' B' ' 8' ' ' VAL . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.672 HD21 ' HG ' ' A' ' 37' ' ' LEU . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.778 HD22 HD21 ' B' ' 21' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.794 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.778 HD21 HD22 ' B' ' 17' ' ' LEU . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.643 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.791 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.643 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 68.8 m-70 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.772 ' HB ' ' CZ2' ' A' ' 44' ' ' TRP . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.437 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.804 HD23 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.473 ' CA ' HD13 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 37' ' ' LEU . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.1 m-80 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.13 87.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.93 49.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.09 136.81 80.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.73 134.64 58.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.6 2.2 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.7 t 57.44 -135.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.3 m -162.74 -46.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -174.38 43.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.94 44.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.8 -45.5 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 53.1 m 56.88 -138.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.78 135.17 57.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.985 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -61.89 -44.31 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.92 47.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.7 137.12 1.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -172.37 133.03 0.73 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.715 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.643 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 7.8 Cg_exo -70.35 -172.05 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.239 1.959 . . . . 0.0 111.988 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.667 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 48.24 41.28 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.374 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.855 HG22 HG23 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.724 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.884 HH11 ' HB3' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.6 ' HB2' HD23 ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB3' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD11 HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.707 HD21 HD12 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.694 ' HB3' HG21 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.723 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.906 HG23 HG22 ' B' ' 10' ' ' ILE . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.573 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.723 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.683 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.82 HD13 HD21 ' B' ' 41' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD21 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.665 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.757 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' LEU . 67.7 m-80 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.767 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.4 75.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -79.78 45.82 0.73 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.337 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.05 134.93 0.7 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.68 -45.32 8.92 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.578 2.186 . . . . 0.0 112.225 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.82 135.58 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -163.06 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 p -173.0 134.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.12 134.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.363 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.96 -45.66 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -174.28 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.34 135.39 56.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.76 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -61.69 -44.5 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.6 46.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.74 136.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 47.8 t -172.68 131.97 0.66 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.588 ' HA ' ' CZ ' ' B' ' 13' ' ' ARG . 20.5 Cg_exo -65.46 -162.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.498 2.132 . . . . 0.0 112.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.636 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . 45.64 36.66 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.568 ' CG1' ' HG3' ' B' ' 13' ' ' ARG . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.541 ' O ' HG21 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.906 HG22 HG23 ' A' ' 33' ' ' VAL . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.618 ' N ' HG23 ' B' ' 10' ' ' ILE . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.496 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.695 HH11 ' HB3' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.661 HD23 HD22 ' A' ' 17' ' ' LEU . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.438 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.884 ' HB3' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.794 HD12 HG13 ' B' ' 33' ' ' VAL . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.637 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.637 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 74.7 m-70 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.855 HG23 HG22 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.621 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.73 HD21 HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.535 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.82 HD21 HD13 ' A' ' 37' ' ' LEU . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' B' ' 42' ' ' ARG . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.609 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' TRP . . . . . 0.661 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.478 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.2 m-80 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.57 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -77.63 45.46 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.77 134.03 0.84 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.65 -45.88 7.98 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.04 134.98 57.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -163.4 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -165.41 132.56 2.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.27 137.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.532 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.08 -44.73 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -173.92 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.84 135.29 57.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.769 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.215 0.531 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.017 HG21 HG22 ' B' ' 33' ' ' VAL . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.691 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.703 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 13' ' ' ARG . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 1.113 ' HB2' HD22 ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.058 HD13 HD13 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.504 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' HB3' HG23 ' A' ' 33' ' ' VAL . 34.3 m80 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' A' ' 21' ' ' LEU . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.729 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.1 pt20 -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.762 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.745 HD22 ' OD1' ' A' ' 45' ' ' ASN . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' SER . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.813 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.745 ' OD1' HD22 ' A' ' 41' ' ' LEU . 23.7 m120 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.846 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 8' ' ' VAL . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.816 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.058 HD13 HD13 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.805 ' HB2' HD13 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.696 HD23 HD21 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.703 HD11 ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.693 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB2' ' NE ' ' A' ' 13' ' ' ARG . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 10' ' ' ILE . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.846 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.555 ' H ' ' HD2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 10' ' ' ILE . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.518 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.8 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.567 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 1.113 HD22 ' HB2' ' A' ' 18' ' ' GLU . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.672 HD13 ' HB3' ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.628 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.677 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 34.1 m120 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 10' ' ' ILE . . . . . . . . 0 CA--C 1.516 -0.343 0 CA-C-O 121.229 0.538 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.001 HG21 HG22 ' B' ' 33' ' ' VAL . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.629 ' HA3' ' NH1' ' B' ' 36' ' ' ARG . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.735 ' HE ' ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD23 HD11 ' B' ' 40' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.027 HD21 HD13 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.049 HD13 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.454 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.757 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.598 ' HB3' HG23 ' A' ' 33' ' ' VAL . 35.9 m80 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.713 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.972 HD13 HD23 ' B' ' 17' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.668 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.783 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 41' ' ' LEU . 23.3 m120 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.698 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.479 ' O ' HG12 ' B' ' 8' ' ' VAL . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.68 ' O ' HG22 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.049 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.726 ' HA2' HD23 ' B' ' 14' ' ' LEU . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.407 ' CG ' ' HB2' ' B' ' 9' ' ' ASP . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.945 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.626 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.972 HD23 HD13 ' A' ' 40' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HB2' ' NE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.698 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 1.001 HG22 HG21 ' A' ' 10' ' ' ILE . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.462 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.899 HD11 HD23 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.667 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.757 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.888 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.887 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.856 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' HA2' ' A' ' 11' ' ' GLY . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.825 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.98 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.825 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.005 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.767 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.643 ' HB3' HG23 ' A' ' 33' ' ' VAL . 34.3 m80 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.811 ' HG ' HD21 ' B' ' 14' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.723 HD22 ' OD1' ' A' ' 45' ' ' ASN . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.771 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.723 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.0 m120 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.902 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.569 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.795 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.787 ' O ' HG22 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.795 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.811 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.667 HD13 ' HB2' ' A' ' 13' ' ' ARG . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.689 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.902 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.569 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.694 ' CE1' HD12 ' B' ' 24' ' ' LEU . 25.9 m80 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 10' ' ' ILE . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.647 HD13 ' CB ' ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.632 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 32.9 m120 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.767 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.379 0.609 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.557 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.922 HG21 HG22 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.768 ' HB2' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.884 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.816 HD21 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD23 HD13 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.64 ' HB3' HG23 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 21' ' ' LEU . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' HG ' HD11 ' B' ' 14' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.768 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.647 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.2 m120 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.737 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.543 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.997 0.427 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 8' ' ' VAL . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.811 ' O ' HG22 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.871 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.55 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.665 ' HB3' HD22 ' A' ' 17' ' ' LEU . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.871 HD23 ' O ' ' B' ' 10' ' ' ILE . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.761 HD11 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 10' ' ' ILE . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 10' ' ' ILE . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.737 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.608 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 26.5 m80 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.647 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.684 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.564 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.363 0.601 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 12' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.034 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.903 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.854 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD23 HD22 ' B' ' 40' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' HG ' ' B' ' 14' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.095 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.534 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 33' ' ' VAL . 29.1 m80 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.735 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.095 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.735 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.697 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.781 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' N ' HD11 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.797 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.67 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.7 m120 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.493 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.397 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.797 ' O ' HG22 ' B' ' 10' ' ' ILE . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.733 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.617 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.681 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.66 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.831 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.66 ' CE1' HD12 ' B' ' 24' ' ' LEU . 21.4 m80 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.493 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 1.034 HG22 HG21 ' A' ' 10' ' ' ILE . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.601 ' O ' HD13 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.618 HD22 HD23 ' A' ' 14' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 42' ' ' ARG . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HA ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.414 0 CA-C-O 121.5 0.666 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 12' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.992 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.902 ' HB3' HG13 ' A' ' 8' ' ' VAL . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.797 HD23 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' B' ' 14' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' B' ' 14' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.761 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.796 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.652 ' OD1' HD22 ' A' ' 41' ' ' LEU . 24.8 m120 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.926 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.967 0.413 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.794 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.764 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.4 ' N ' ' CG2' ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.794 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.529 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 10' ' ' ILE . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.537 HD11 ' HG ' ' A' ' 14' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.698 HD22 HG11 ' B' ' 33' ' ' VAL . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.689 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.926 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.689 ' CE1' HD12 ' B' ' 24' ' ' LEU . 23.5 m80 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.992 HG22 HG21 ' A' ' 10' ' ' ILE . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.797 HD11 HD23 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.684 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.708 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.596 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.708 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.596 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.961 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.859 ' HB2' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 HD11 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.019 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.806 HD23 HD13 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 HD11 ' A' ' 21' ' ' LEU . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.592 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.649 ' HG2' HH11 ' A' ' 36' ' ' ARG . 3.0 tt0 -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' B' ' 14' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' N ' HD11 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.779 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.657 ' OD1' HD22 ' A' ' 41' ' ' LEU . 21.9 m120 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.822 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' B' ' 12' ' ' ASP . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.838 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.838 HG22 ' O ' ' B' ' 9' ' ' ASP . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.618 ' CB ' HD22 ' A' ' 17' ' ' LEU . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.708 HD11 ' HG ' ' A' ' 14' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.729 HD22 HG11 ' B' ' 33' ' ' VAL . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 10' ' ' ILE . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.822 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.576 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 26.8 m80 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.961 HG22 HG21 ' A' ' 10' ' ' ILE . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.458 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.422 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.829 HD11 HD23 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.68 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.43 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.7 m120 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 121.125 0.488 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.912 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.844 HH11 ' HB2' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.872 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.833 ' HB2' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.988 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 HD13 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.665 ' HB3' HG23 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.73 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD11 ' A' ' 21' ' ' LEU . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 4.7 pt20 -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HB3' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.682 ' OD1' HD22 ' A' ' 41' ' ' LEU . 25.7 m120 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.802 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.641 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.61 ' O ' HG13 ' B' ' 8' ' ' VAL . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.873 ' O ' HG22 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.873 HG22 ' O ' ' B' ' 9' ' ' ASP . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.833 HH11 ' HB2' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.896 HD11 HG13 ' A' ' 33' ' ' VAL . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.925 HD11 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.844 ' HB2' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.674 HD23 HD11 ' A' ' 10' ' ' ILE . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 7' ' ' ALA . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.802 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.609 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 29.6 m80 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.912 HG22 HG21 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 20.5 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.635 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.532 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.703 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.618 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' TRP . . . . . 0.703 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.497 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 34.9 m120 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.618 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.65 134.27 56.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.82 135.13 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.99 -139.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 51.1 m 64.5 128.19 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.826 ' HA ' HH21 ' A' ' 13' ' ' ARG . 8.1 Cg_exo -71.38 -167.39 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.497 2.131 . . . . 0.0 112.248 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 44.0 42.91 5.08 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.442 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.017 HG21 HG22 ' B' ' 33' ' ' VAL . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.826 HH21 ' HA ' ' A' ' 6' ' ' PRO . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.703 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 13' ' ' ARG . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 1.113 ' HB2' HD22 ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.058 HD13 HD13 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.504 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' HB3' HG23 ' A' ' 33' ' ' VAL . 34.3 m80 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' A' ' 21' ' ' LEU . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.729 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.1 pt20 -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.762 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.745 HD22 ' OD1' ' A' ' 45' ' ' ASN . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' SER . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.813 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.745 ' OD1' HD22 ' A' ' 41' ' ' LEU . 23.7 m120 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.846 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.05 70.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 84.19 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.982 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.42 133.8 2.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.26 137.54 56.69 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.721 2.281 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.3 p -60.0 142.78 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -165.6 -41.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.8 m -163.1 -49.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.33 44.11 29.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.6 133.09 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.8 m -64.36 136.67 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.32 134.76 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.78 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.67 133.94 56.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 133.64 55.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.01 -139.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.49 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 52.3 m 63.59 127.02 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.14 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.572 ' HA ' HH21 ' B' ' 13' ' ' ARG . 14.1 Cg_exo -68.7 -159.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 111.824 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.504 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 43.58 37.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 8' ' ' VAL . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.816 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.058 HD13 HD13 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.805 ' HB2' HD13 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.696 HD23 HD21 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.703 HD11 ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.693 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.748 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 10' ' ' ILE . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.846 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.555 ' H ' ' HD2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 10' ' ' ILE . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.518 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.8 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.567 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 1.113 HD22 ' HB2' ' A' ' 18' ' ' GLU . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.672 HD13 ' HB3' ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.628 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.677 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 34.1 m120 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.57 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.16 93.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.511 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 134.16 0.77 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.66 136.12 48.34 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.43 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 80.2 p -59.46 142.52 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -164.87 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.33 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 62.1 m -162.9 -49.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.53 43.89 29.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.31 132.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.7 m -64.39 136.16 56.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.26 134.78 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.812 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -79.05 43.94 0.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.72 136.01 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.17 135.5 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.548 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 90.6 p -174.8 57.35 0.19 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.697 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 5.7 Cg_endo -84.81 155.77 11.68 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.959 2.439 . . . . 0.0 113.114 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.97 36.72 24.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.974 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.001 HG21 HG22 ' B' ' 33' ' ' VAL . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.629 ' HA3' ' NH1' ' B' ' 36' ' ' ARG . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.735 ' HE ' ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD23 HD11 ' B' ' 40' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.027 HD21 HD13 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.049 HD13 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.454 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.757 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.598 ' HB3' HG23 ' A' ' 33' ' ' VAL . 35.9 m80 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.713 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.972 HD13 HD23 ' B' ' 17' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.668 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.783 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.65 ' OD1' HD22 ' A' ' 41' ' ' LEU . 23.3 m120 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.698 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.74 75.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 47.42 37.78 6.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.242 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . . . -177.68 132.76 0.34 Allowed Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 51' ' ' ALA . 25.6 Cg_exo -62.73 130.42 29.52 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.481 2.12 . . . . 0.0 112.093 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.0 p -177.13 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.55 136.32 0.34 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 m -60.61 130.57 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.35 -138.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 tt -174.14 136.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -173.39 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.45 135.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.076 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -78.89 43.1 0.48 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.309 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.11 136.73 58.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 134.55 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.561 ' N ' ' HD3' ' B' ' 6' ' ' PRO . 47.6 t -171.14 53.85 0.2 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' B' ' 5' ' ' SER . 83.0 Cg_endo -88.82 153.99 6.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.928 2.419 . . . . 0.0 112.879 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 65.08 30.36 11.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.776 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.54 HG21 ' OG ' ' B' ' 5' ' ' SER . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.68 ' O ' HG22 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.049 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.726 ' HA2' HD23 ' B' ' 14' ' ' LEU . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.407 ' CG ' ' HB2' ' B' ' 9' ' ' ASP . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.945 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.626 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.972 HD23 HD13 ' A' ' 40' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HB2' ' NE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.698 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 1.001 HG22 HG21 ' A' ' 10' ' ' ILE . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.462 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.899 HD11 HD23 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.667 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.757 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.46 96.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 54.34 39.91 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' B' ' 52' ' ' PRO . . . -179.4 130.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 51' ' ' ALA . 27.6 Cg_exo -62.03 130.59 31.37 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.549 2.166 . . . . 0.0 112.024 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -176.48 -140.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.4 136.81 0.36 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -60.5 130.1 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.6 -138.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 15.9 tt -175.54 136.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.027 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -172.92 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.36 136.9 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.774 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 64.56 134.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.357 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.47 -139.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -46.32 88.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.281 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 14.2 t 58.09 59.42 6.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 5' ' ' SER . 13.1 Cg_exo -65.93 -166.7 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.201 1.934 . . . . 0.0 112.288 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . 46.4 41.0 8.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.888 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.887 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.856 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' HA2' ' A' ' 11' ' ' GLY . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.825 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.98 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.825 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.704 ' HA ' ' H ' ' B' ' 7' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.005 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.767 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.643 ' HB3' HG23 ' A' ' 33' ' ' VAL . 34.3 m80 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.811 ' HG ' HD21 ' B' ' 14' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.723 HD22 ' OD1' ' A' ' 45' ' ' ASN . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.771 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.723 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.0 m120 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.902 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.569 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.32 72.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 48.28 41.31 15.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.16 62.26 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HB2' ' H ' ' A' ' 53' ' ' SER . 44.4 Cg_endo -67.59 -135.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.692 2.261 . . . . 0.0 112.459 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 52' ' ' PRO . 44.0 t -168.83 51.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.7 t -167.6 -39.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 m -59.32 -43.39 92.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.25 137.96 58.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.4 pp -58.02 148.41 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.68 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.3 m -69.99 -138.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -150.67 44.24 0.84 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.886 0.374 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.875 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 64.68 133.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.97 -139.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.29 97.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m 56.22 56.06 9.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.195 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 28.0 Cg_endo -64.74 -159.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.047 1.831 . . . . 0.0 111.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.704 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 46.75 35.75 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.795 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.787 ' O ' HG22 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.795 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.811 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.667 HD13 ' HB2' ' A' ' 13' ' ' ARG . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.689 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.902 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.569 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.694 ' CE1' HD12 ' B' ' 24' ' ' LEU . 25.9 m80 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 10' ' ' ILE . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.647 HD13 ' CB ' ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.632 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 32.9 m120 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.767 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.25 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 55.43 45.3 25.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 58.97 0.25 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.071 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.529 ' HB2' ' H ' ' B' ' 53' ' ' SER . 37.8 Cg_endo -65.36 -134.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.59 2.193 . . . . 0.0 112.404 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.529 ' H ' ' HB2' ' B' ' 52' ' ' PRO . 43.7 t -168.88 51.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.6 t -167.84 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.02 138.01 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' B' ' 57' ' ' ILE . 2.6 pp -57.21 146.87 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.437 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.8 t -68.82 -137.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -151.68 44.66 0.76 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 0.0 110.773 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.19 -141.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.23 134.41 0.54 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.05 44.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.445 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.681 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 80.4 p -67.64 -42.84 37.82 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 5' ' ' SER . 4.1 Cg_endo -51.63 162.5 1.57 Allowed 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.924 1.749 . . . . 0.0 112.816 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.663 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 61.48 40.94 13.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.803 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.557 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.922 HG21 HG22 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.768 ' HB2' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.884 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.816 HD21 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD23 HD13 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.64 ' HB3' HG23 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 21' ' ' LEU . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' HG ' HD11 ' B' ' 14' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.768 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.647 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.2 m120 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.737 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.78 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.12 47.92 1.18 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . . . -56.06 132.42 74.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.269 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 51' ' ' ALA . 34.3 Cg_exo -60.31 -36.86 85.94 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.92 2.414 . . . . 0.0 112.553 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.8 p -76.36 50.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.469 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.6 p -58.54 137.39 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -170.9 44.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.777 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.44 44.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.219 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.68 135.12 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.6 p -69.23 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.86 134.85 57.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.8 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -68.66 -139.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.743 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.79 135.17 0.38 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.63 39.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.522 ' HB3' ' HD3' ' B' ' 6' ' ' PRO . 45.3 t -62.52 -46.55 89.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' B' ' 5' ' ' SER . 50.1 Cg_exo -52.25 159.6 4.1 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.274 1.982 . . . . 0.0 112.25 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.543 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . 65.2 38.75 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 8' ' ' VAL . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.811 ' O ' HG22 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.871 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.55 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.665 ' HB3' HD22 ' A' ' 17' ' ' LEU . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.871 HD23 ' O ' ' B' ' 10' ' ' ILE . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.761 HD11 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.663 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 10' ' ' ILE . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 10' ' ' ILE . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.737 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.608 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 26.5 m80 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.647 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.684 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.9 97.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -79.84 47.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 52' ' ' PRO . . . -55.41 133.37 70.33 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 51' ' ' ALA . 31.1 Cg_exo -59.35 -35.15 97.34 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.766 2.31 . . . . 0.0 112.188 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -75.96 49.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.552 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 69.3 p -60.16 137.12 58.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.045 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -171.39 44.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.68 45.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 tp -60.36 136.75 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -68.67 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.34 135.35 57.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.802 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t 57.51 45.58 19.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.9 -138.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.16 -140.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -175.62 56.47 0.15 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 9.9 Cg_endo -55.64 157.09 16.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.501 2.134 . . . . 0.0 112.896 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.564 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . 61.57 38.49 15.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.484 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 12' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.034 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.903 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.854 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD23 HD22 ' B' ' 40' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' HG ' ' B' ' 14' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.095 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.534 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 33' ' ' VAL . 29.1 m80 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.735 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.095 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.735 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.697 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.781 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' N ' HD11 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.797 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.67 ' OD1' HD22 ' A' ' 41' ' ' LEU . 22.7 m120 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.493 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.39 71.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.3 82.85 0.14 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.46 134.29 1.84 Allowed Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.41 137.28 54.78 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.665 2.244 . . . . 0.0 112.422 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -59.05 139.43 56.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -55.96 137.03 51.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.421 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -61.94 138.93 58.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.2 -45.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.55 135.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -65.66 -52.8 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -68.95 136.82 53.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.056 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.692 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t 57.14 45.92 19.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.87 -137.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.14 -138.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.641 0.258 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -172.34 57.12 0.23 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.38 153.57 40.1 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 65.54 34.5 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.797 ' O ' HG22 ' B' ' 10' ' ' ILE . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.733 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.617 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.681 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.66 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.831 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.66 ' CE1' HD12 ' B' ' 24' ' ' LEU . 21.4 m80 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.493 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 1.034 HG22 HG21 ' A' ' 10' ' ' ILE . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.601 ' O ' HD13 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.618 HD22 HD23 ' A' ' 14' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 42' ' ' ARG . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.27 94.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.68 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.936 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.73 134.52 1.23 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.05 137.87 59.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.636 2.224 . . . . 0.0 112.379 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -58.61 139.58 55.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -56.98 135.36 56.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -60.31 138.26 57.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.971 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.35 -45.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.68 135.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -66.15 -52.73 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.03 135.58 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.854 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 p -171.86 46.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.08 133.82 55.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 47.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.537 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.598 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 69.7 m -61.92 -50.3 81.67 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.658 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 5' ' ' SER . 10.7 Cg_endo -56.4 155.0 27.06 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.09 1.86 . . . . 0.0 112.548 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HA ' HD21 ' B' ' 24' ' ' LEU . . . 60.75 35.84 19.5 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.063 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 12' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.992 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.902 ' HB3' HG13 ' A' ' 8' ' ' VAL . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD23 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' B' ' 14' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' B' ' 14' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.761 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' B' ' 37' ' ' LEU . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.796 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.652 ' OD1' HD22 ' A' ' 41' ' ' LEU . 24.8 m120 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.926 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.98 66.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -78.6 46.28 0.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.282 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.76 133.29 0.81 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -77.23 44.11 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.733 2.289 . . . . 0.0 112.654 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.7 m 57.68 48.57 13.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.1 p -56.98 137.16 55.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -171.3 137.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.15 44.28 16.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -61.98 134.04 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.837 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.492 ' N ' HD13 ' A' ' 57' ' ' ILE . 45.0 t -171.68 45.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.737 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.0 135.63 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -163.37 44.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.34 133.29 55.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 43.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.64 ' N ' ' HD2' ' B' ' 6' ' ' PRO . 33.1 t -60.02 -49.17 92.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 5' ' ' SER . 18.6 Cg_endo -59.81 153.84 53.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.31 2.007 . . . . 0.0 111.932 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 64.48 33.15 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.794 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.764 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.4 ' N ' ' CG2' ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.794 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.529 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 10' ' ' ILE . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.537 HD11 ' HG ' ' A' ' 14' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.698 HD22 HG11 ' B' ' 33' ' ' VAL . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.689 HD12 ' CE1' ' B' ' 30' ' ' HIS . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.926 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.689 ' CE1' HD12 ' B' ' 24' ' ' LEU . 23.5 m80 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.992 HG22 HG21 ' A' ' 10' ' ' ILE . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.797 HD11 HD23 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.684 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.708 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.596 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.5 m120 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.708 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.596 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.63 78.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -76.81 46.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.69 132.44 0.92 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.03 44.55 1.49 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.748 2.299 . . . . 0.0 112.624 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.6 m 57.46 48.16 15.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -56.65 136.96 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.6 t -171.78 136.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.54 45.95 12.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.243 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 tt -60.05 139.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -174.38 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.69 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.26 134.61 56.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.89 -44.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.04 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 134.24 56.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 77.3 p -175.47 135.24 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.669 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.582 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 3.7 Cg_exo -72.71 164.92 34.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.137 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.64 37.07 25.34 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.961 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.859 ' HB2' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 HD11 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.019 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.806 HD23 HD13 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 HD11 ' A' ' 21' ' ' LEU . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.592 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.649 ' HG2' HH11 ' A' ' 36' ' ' ARG . 3.0 tt0 -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' B' ' 14' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' N ' HD11 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.779 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.657 ' OD1' HD22 ' A' ' 41' ' ' LEU . 21.9 m120 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.822 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -35.13 69.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.0 48.45 0.98 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.51 133.6 82.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 111.348 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.01 134.37 64.04 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.155 2.57 . . . . 0.0 112.337 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t 56.43 -135.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.9 m -163.25 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -174.03 43.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.2 44.97 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.344 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m 56.86 -138.79 0.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.024 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.94 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.01 134.6 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 79.4 p -173.56 131.88 0.57 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 5' ' ' SER . 19.8 Cg_exo -65.72 161.3 39.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 112.077 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 62.06 36.36 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' B' ' 12' ' ' ASP . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.838 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.838 HG22 ' O ' ' B' ' 9' ' ' ASP . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.618 ' CB ' HD22 ' A' ' 17' ' ' LEU . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.708 HD11 ' HG ' ' A' ' 14' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.729 HD22 HG11 ' B' ' 33' ' ' VAL . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.551 HD13 HD13 ' A' ' 10' ' ' ILE . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.822 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.576 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 26.8 m80 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.961 HG22 HG21 ' A' ' 10' ' ' ILE . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.458 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.422 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.829 HD11 HD23 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.68 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.43 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 35.7 m120 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.13 87.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.93 49.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.09 136.81 80.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.73 134.64 58.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.6 2.2 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.7 t 57.44 -135.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.3 m -162.74 -46.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -174.38 43.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.94 44.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.8 -45.5 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 53.1 m 56.88 -138.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.78 135.17 57.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.985 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -61.89 -44.31 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.92 47.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.7 137.12 1.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 32.5 t -172.37 133.03 0.73 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.715 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 7.8 Cg_exo -70.35 -172.05 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.239 1.959 . . . . 0.0 111.988 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . 48.24 41.28 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.374 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.912 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.844 HH11 ' HB2' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.872 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.833 ' HB2' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.988 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 HD13 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.665 ' HB3' HG23 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.73 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD11 ' A' ' 21' ' ' LEU . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 4.7 pt20 -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HB3' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.734 ' HA ' ' HB3' ' A' ' 44' ' ' TRP . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.682 ' OD1' HD22 ' A' ' 41' ' ' LEU . 25.7 m120 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.802 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.4 75.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -79.78 45.82 0.73 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.337 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.05 134.93 0.7 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.68 -45.32 8.92 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.578 2.186 . . . . 0.0 112.225 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.82 135.58 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -163.06 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 p -173.0 134.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.12 134.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.363 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.96 -45.66 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -174.28 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.34 135.39 56.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.76 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -61.69 -44.5 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.6 46.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.74 136.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 47.8 t -172.68 131.97 0.66 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 13' ' ' ARG . 20.5 Cg_exo -65.46 -162.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.498 2.132 . . . . 0.0 112.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.641 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . 45.64 36.66 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.61 ' O ' HG13 ' B' ' 8' ' ' VAL . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.873 ' O ' HG22 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.873 HG22 ' O ' ' B' ' 9' ' ' ASP . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.833 HH11 ' HB2' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.896 HD11 HG13 ' A' ' 33' ' ' VAL . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.925 HD11 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.844 ' HB2' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.674 HD23 HD11 ' A' ' 10' ' ' ILE . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 7' ' ' ALA . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.802 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.609 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 29.6 m80 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.912 HG22 HG21 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 20.5 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.635 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.532 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.703 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.618 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' TRP . . . . . 0.703 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.497 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 34.9 m120 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.618 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.57 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -77.63 45.46 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.77 134.03 0.84 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.65 -45.88 7.98 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.04 134.98 57.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -163.4 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -165.41 132.56 2.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.27 137.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.532 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.08 -44.73 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -173.92 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.84 135.29 57.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.769 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.215 0.531 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.017 HG21 HG22 ' B' ' 33' ' ' VAL . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.691 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.703 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 13' ' ' ARG . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 1.113 ' HB2' HD22 ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.058 HD13 HD13 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.504 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.4 m-70 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' A' ' 21' ' ' LEU . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.729 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.762 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.895 HD22 ' ND2' ' A' ' 45' ' ' ASN . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' SER . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.813 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.895 ' ND2' HD22 ' A' ' 41' ' ' LEU . 65.0 m-80 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.846 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 8' ' ' VAL . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.816 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.058 HD13 HD13 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.805 ' HB2' HD13 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.696 HD23 HD21 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.703 HD11 ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.693 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.518 ' HB2' ' NE ' ' A' ' 13' ' ' ARG . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 10' ' ' ILE . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.846 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.555 ' H ' ' HD2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 10' ' ' ILE . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.518 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.567 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 1.113 HD22 ' HB2' ' A' ' 18' ' ' GLU . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.672 HD13 ' HB3' ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.628 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.677 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 76.6 m-20 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 10' ' ' ILE . . . . . . . . 0 CA--C 1.516 -0.343 0 CA-C-O 121.229 0.538 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.001 HG21 HG22 ' B' ' 33' ' ' VAL . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.629 ' HA3' ' NH1' ' B' ' 36' ' ' ARG . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.735 ' HE ' ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD23 HD11 ' B' ' 40' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.027 HD21 HD13 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.049 HD13 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.454 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.757 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.598 ' HB3' HG23 ' A' ' 33' ' ' VAL . 86.1 m-70 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.713 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.972 HD13 HD23 ' B' ' 17' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.8 HD22 ' ND2' ' A' ' 45' ' ' ASN . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.783 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.8 ' ND2' HD22 ' A' ' 41' ' ' LEU . 63.4 m-80 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.698 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.479 ' O ' HG12 ' B' ' 8' ' ' VAL . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.68 ' O ' HG22 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.049 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.726 ' HA2' HD23 ' B' ' 14' ' ' LEU . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.407 ' CG ' ' HB2' ' B' ' 9' ' ' ASP . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.945 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.626 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.972 HD23 HD13 ' A' ' 40' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HB2' ' NE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.698 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 1.001 HG22 HG21 ' A' ' 10' ' ' ILE . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.462 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.899 HD11 HD23 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.667 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.448 HD21 HD22 ' B' ' 41' ' ' LEU . 74.1 m-80 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.757 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.888 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.887 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.856 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' HA2' ' A' ' 11' ' ' GLY . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.825 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.98 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.825 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.005 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.767 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.643 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.6 m-70 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.811 ' HG ' HD21 ' B' ' 14' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.873 HD22 ' ND2' ' A' ' 45' ' ' ASN . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.771 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.873 ' ND2' HD22 ' A' ' 41' ' ' LEU . 62.1 m-80 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.902 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.569 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.795 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.787 ' O ' HG22 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.795 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.811 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.667 HD13 ' HB2' ' A' ' 13' ' ' ARG . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.689 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.634 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.902 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.569 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.594 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 64.7 m-70 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 10' ' ' ILE . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.647 HD13 ' CB ' ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.632 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.461 HD21 ' HG ' ' B' ' 41' ' ' LEU . 76.3 m-20 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.767 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.375 0 CA-C-O 121.379 0.609 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.557 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.922 HG21 HG22 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.768 ' HB2' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.884 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.816 HD21 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.856 HD23 HD13 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.64 ' HB3' HG23 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 21' ' ' LEU . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' HG ' HD11 ' B' ' 14' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.786 HD22 ' ND2' ' A' ' 45' ' ' ASN . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.768 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.786 ' ND2' HD22 ' A' ' 41' ' ' LEU . 61.9 m-80 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.737 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.543 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.997 0.427 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 8' ' ' VAL . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.811 ' O ' HG22 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.871 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.55 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.665 ' HB3' HD22 ' A' ' 17' ' ' LEU . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.871 HD23 ' O ' ' B' ' 10' ' ' ILE . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.761 HD11 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 10' ' ' ILE . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 10' ' ' ILE . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.737 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.608 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 66.7 m-70 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.647 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.684 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.0 m-80 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.564 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.409 0 CA-C-O 121.363 0.601 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 12' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.034 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.903 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.854 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD23 HD22 ' B' ' 40' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' HG ' ' B' ' 14' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.095 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.534 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 33' ' ' VAL . 76.2 m-70 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.735 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.095 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.735 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.697 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.781 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' N ' HD11 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.822 HD22 ' ND2' ' A' ' 45' ' ' ASN . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.797 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.822 ' ND2' HD22 ' A' ' 41' ' ' LEU . 62.7 m-80 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.493 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.397 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.797 ' O ' HG22 ' B' ' 10' ' ' ILE . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.733 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.617 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.681 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.643 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.831 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.58 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 55.8 m-70 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.493 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 1.034 HG22 HG21 ' A' ' 10' ' ' ILE . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.601 ' O ' HD13 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.618 HD22 HD23 ' A' ' 14' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 42' ' ' ARG . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.518 HD21 HD22 ' B' ' 41' ' ' LEU . 74.9 m-80 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HA ' HD21 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.414 0 CA-C-O 121.5 0.666 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 12' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.992 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.902 ' HB3' HG13 ' A' ' 8' ' ' VAL . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.797 HD23 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' B' ' 14' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' B' ' 14' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.761 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 45' ' ' ASN . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.796 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 41' ' ' LEU . 65.9 m-80 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.926 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.967 0.413 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.794 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.764 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.4 ' N ' ' CG2' ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.794 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.529 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 10' ' ' ILE . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.537 HD11 ' HG ' ' A' ' 14' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.698 HD22 HG11 ' B' ' 33' ' ' VAL . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.633 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.926 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.59 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 61.1 m-70 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.992 HG22 HG21 ' A' ' 10' ' ' ILE . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.797 HD11 HD23 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.684 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.708 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.596 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.7 m-80 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.708 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.596 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.961 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.859 ' HB2' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 HD11 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.019 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.806 HD23 HD13 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 HD11 ' A' ' 21' ' ' LEU . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.592 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.649 ' HG2' HH11 ' A' ' 36' ' ' ARG . 0.3 OUTLIER -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' B' ' 14' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' N ' HD11 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.814 HD22 ' ND2' ' A' ' 45' ' ' ASN . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.779 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.814 ' ND2' HD22 ' A' ' 41' ' ' LEU . 61.4 m-80 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.822 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' B' ' 12' ' ' ASP . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.838 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.838 HG22 ' O ' ' B' ' 9' ' ' ASP . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.618 ' CB ' HD22 ' A' ' 17' ' ' LEU . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.708 HD11 ' HG ' ' A' ' 14' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.729 HD22 HG11 ' B' ' 33' ' ' VAL . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.822 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.651 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 68.8 m-70 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.961 HG22 HG21 ' A' ' 10' ' ' ILE . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.458 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.422 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.829 HD11 HD23 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.68 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.445 HD21 HD22 ' B' ' 41' ' ' LEU . 75.1 m-80 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 121.125 0.488 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.912 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.844 HH11 ' HB2' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.872 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.833 ' HB2' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.988 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 HD13 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.665 ' HB3' HG23 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.73 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD11 ' A' ' 21' ' ' LEU . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HB3' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' ND2' ' A' ' 45' ' ' ASN . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.831 ' ND2' HD22 ' A' ' 41' ' ' LEU . 67.7 m-80 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.802 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.641 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.896 0.379 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.61 ' O ' HG13 ' B' ' 8' ' ' VAL . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.873 ' O ' HG22 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.873 HG22 ' O ' ' B' ' 9' ' ' ASP . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.833 HH11 ' HB2' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.896 HD11 HG13 ' A' ' 33' ' ' VAL . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.925 HD11 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.844 ' HB2' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.674 HD23 HD11 ' A' ' 10' ' ' ILE . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.645 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.802 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.645 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 74.7 m-70 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.912 HG22 HG21 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.635 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.532 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.703 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.618 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' TRP . . . . . 0.703 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.607 HD21 HD22 ' B' ' 41' ' ' LEU . 74.2 m-80 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.618 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.65 134.27 56.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.82 135.13 57.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.99 -139.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 51.1 m 64.5 128.19 0.03 OUTLIER Pre-proline 0 N--CA 1.462 0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.826 ' HA ' HH21 ' A' ' 13' ' ' ARG . 8.1 Cg_exo -71.38 -167.39 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.497 2.131 . . . . 0.0 112.248 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 44.0 42.91 5.08 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.442 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG13 ' HB3' ' A' ' 12' ' ' ASP . 7.1 p -77.27 57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.875 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 59.2 m-20 74.1 1.17 3.82 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.702 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.017 HG21 HG22 ' B' ' 33' ' ' VAL . 2.5 tp 55.4 -50.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 112.976 -1.92 . . . . 0.0 114.588 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -65.07 -11.86 52.99 Favored Glycine 0 CA--C 1.49 -1.5 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 t70 -70.83 -36.38 72.87 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.616 0.722 . . . . 0.0 109.144 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.826 HH21 ' HA ' ' A' ' 6' ' ' PRO . 45.7 mtt-85 -71.83 -50.12 32.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 122.745 1.26 . . . . 0.0 109.518 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.703 ' HG ' HD11 ' B' ' 17' ' ' LEU . 3.1 mt -56.76 -52.63 64.28 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.445 -2.161 . . . . 0.0 111.906 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.5 t70 -50.97 -51.25 54.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.952 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.8 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.299 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 13' ' ' ARG . 5.5 tp -69.01 -45.44 70.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.637 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 1.113 ' HB2' HD22 ' B' ' 40' ' ' LEU . 5.3 tp10 -65.98 -42.13 90.21 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.705 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.9 mmtt -61.42 -37.78 84.74 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.13 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.63 -49.35 71.37 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.52 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.011 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -57.68 -44.07 85.51 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 112.929 -1.942 . . . . 0.0 110.744 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 49.1 mm-40 -47.78 -31.55 5.0 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.125 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -77.32 -47.33 20.26 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.511 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.058 HD13 HD13 ' B' ' 10' ' ' ILE . 6.8 mp -82.32 14.15 3.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.753 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.504 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 78.6 p -47.21 84.18 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.055 0.455 . . . . 0.0 111.653 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 53.0 33.61 15.15 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.672 0.749 . . . . 0.0 111.28 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 40.3 mm-40 -59.85 -38.08 81.1 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.627 -1.17 . . . . 0.0 113.307 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -162.3 52.21 0.21 Allowed 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.603 0.716 . . . . 0.0 111.31 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.61 49.47 76.29 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.4 m-70 -75.45 44.6 0.27 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.958 0.409 . . . . 0.0 111.18 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -58.55 -18.84 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.937 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.8 m-20 -67.22 -29.69 69.41 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.714 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HD11 ' A' ' 21' ' ' LEU . 59.8 t -66.3 -47.44 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.65 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.613 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.35 -31.59 77.41 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.669 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.729 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -64.1 -36.91 85.56 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.762 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 38.0 mmt180 -74.58 -48.03 29.05 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' B' ' 41' ' ' LEU . 11.4 mt -51.47 -43.17 62.06 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.864 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.13 -51.01 16.94 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.455 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.2 m -48.19 -44.4 32.64 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.611 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 36' ' ' ARG . 45.7 mt -53.45 -53.73 47.08 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.855 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.895 HD22 ' ND2' ' A' ' 45' ' ' ASN . 6.8 mt -68.41 -55.19 12.76 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 115.349 -0.842 . . . . 0.0 113.188 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' SER . 21.9 mmm180 -48.63 -27.65 2.97 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.477 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -86.59 -32.91 20.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.728 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.813 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -72.53 -61.59 1.75 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.214 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.895 ' ND2' HD22 ' A' ' 41' ' ' LEU . 65.0 m-80 -55.49 -37.95 68.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.915 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 42' ' ' ARG . 42.9 t -61.14 -47.21 87.26 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.305 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.846 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 59.9 mtt-85 -60.96 -36.22 78.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 77.4 mtp180 -54.86 -51.84 64.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.754 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.05 70.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.084 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 84.19 0.15 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.982 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.42 133.8 2.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.26 137.54 56.69 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.721 2.281 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.3 p -60.0 142.78 53.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -165.6 -41.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.8 m -163.1 -49.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.33 44.11 29.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.6 133.09 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.049 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.8 m -64.36 136.67 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.32 134.76 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.78 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -61.67 133.94 56.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.52 133.64 55.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.01 -139.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.49 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 52.3 m 63.59 127.02 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.14 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.572 ' HA ' HH21 ' B' ' 13' ' ' ARG . 14.1 Cg_exo -68.7 -159.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 111.824 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.504 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 43.58 37.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 8' ' ' VAL . 14.5 p -76.97 58.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.108 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.816 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.7 m-20 76.94 -12.87 1.0 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.896 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.058 HD13 HD13 ' A' ' 24' ' ' LEU . 3.7 tp 69.58 -40.82 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 124.025 0.828 . . . . 0.0 111.572 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -72.75 -28.88 66.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.998 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 62.6 t0 -57.98 -49.92 75.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.805 ' HB2' HD13 ' A' ' 17' ' ' LEU . 69.9 mtt-85 -65.69 -42.1 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.471 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.696 HD23 HD21 ' A' ' 17' ' ' LEU . 14.5 mt -59.39 -44.53 92.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.792 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.556 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 8.9 t70 -63.21 -48.28 78.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.475 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 55.9 mt-10 -63.13 -39.4 94.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.703 HD11 ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -60.5 -43.72 96.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.042 0.449 . . . . 0.0 109.79 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.693 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tp10 -63.82 -52.54 59.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -50.99 -35.85 36.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.965 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.748 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.88 -51.26 50.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.203 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 10' ' ' ILE . 10.9 mp -60.58 -29.1 68.97 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.344 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 18' ' ' GLU . 69.0 mm-40 -53.63 -38.99 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.35 -34.19 20.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.607 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 7.9 tp -90.08 11.85 19.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.591 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.846 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 99.3 p -54.75 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 48.86 42.9 20.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.546 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.555 ' H ' ' HD2' ' B' ' 30' ' ' HIS . 63.8 mm-40 -63.99 -35.63 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.552 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -159.09 60.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.769 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 60.94 50.32 68.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.906 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.607 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 67.0 m-70 -74.46 37.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.731 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' B' ' 29' ' ' GLY . 46.8 m-20 -52.98 -28.03 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.168 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.668 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 45.2 m-20 -55.85 -42.06 75.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.905 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 10' ' ' ILE . 14.6 t -63.73 -30.44 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.518 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -69.73 -45.74 57.06 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.413 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.54 -36.99 84.36 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.737 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.2 mmt180 -69.59 -57.73 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.211 0.529 . . . . 0.0 110.032 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -52.3 -39.96 61.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.503 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.567 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tt0 -73.42 -45.99 51.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.506 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 68.5 p -58.67 -41.06 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.793 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 1.113 HD22 ' HB2' ' A' ' 18' ' ' GLU . 41.6 mt -60.7 -44.5 96.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.343 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.672 HD13 ' HB3' ' A' ' 37' ' ' LEU . 7.5 tp -70.02 -40.56 75.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.559 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -60.1 -44.47 94.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.4 mmm180 -70.99 -36.74 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.499 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.628 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 20.9 t-105 -59.94 -54.1 50.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.119 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.677 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 76.6 m-20 -67.46 -41.86 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.232 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -52.24 -44.85 65.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.929 0.395 . . . . 0.0 110.56 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 72.2 mtt-85 -64.47 -38.04 89.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.412 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.677 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.0 mtp180 -56.05 -48.05 76.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.49 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.57 94.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.589 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.16 93.47 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.511 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 134.16 0.77 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.66 136.12 48.34 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.43 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 80.2 p -59.46 142.52 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.3 t -164.87 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.33 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 62.1 m -162.9 -49.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.53 43.89 29.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.31 132.96 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.7 m -64.39 136.16 56.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.26 134.78 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.4 t0 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.812 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -79.05 43.94 0.54 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.72 136.01 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.17 135.5 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.548 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 90.6 p -174.8 57.35 0.19 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.697 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 5.7 Cg_endo -84.81 155.77 11.68 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 122.959 2.439 . . . . 0.0 113.114 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.97 36.72 24.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.974 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 95.7 t -80.98 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 11' ' ' GLY . 45.6 m-20 65.4 11.41 7.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.001 HG21 HG22 ' B' ' 33' ' ' VAL . 1.8 tp 45.93 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.612 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.629 ' HA3' ' NH1' ' B' ' 36' ' ' ARG . . . -56.86 -11.86 6.25 Favored Glycine 0 CA--C 1.494 -1.251 0 C-N-CA 120.213 -0.994 . . . . 0.0 111.682 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 66.6 m-20 -71.2 -39.77 71.59 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.504 0.669 . . . . 0.0 110.102 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.735 ' HE ' ' HA ' ' B' ' 17' ' ' LEU . 0.3 OUTLIER -68.69 -52.56 29.68 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 122.776 1.274 . . . . 0.0 108.931 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD23 HD11 ' B' ' 40' ' ' LEU . 2.6 mt -52.07 -49.85 62.7 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 112.161 -2.29 . . . . 0.0 112.203 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 6.8 t70 -54.39 -49.68 69.33 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 48.3 mt-10 -65.93 -23.81 66.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.027 HD21 HD13 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.761 -178.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 86.1 tt0 -72.92 -41.64 64.35 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.346 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 37.5 mmtm -60.27 -38.76 84.52 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.573 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.66 -51.85 63.34 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 122.511 1.148 . . . . 0.0 109.737 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.048 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.47 -43.19 79.34 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.709 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.3 mt-10 -48.33 -32.19 7.09 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.949 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -74.74 -47.55 30.6 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.231 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.049 HD13 HD13 ' B' ' 10' ' ' ILE . 5.9 mp -82.5 14.31 3.14 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.325 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.454 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.7 p -46.54 84.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.869 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 53.41 33.69 16.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 111.386 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.3 mm-40 -59.55 -37.75 79.23 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.157 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.6 52.08 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.443 0.639 . . . . 0.0 111.573 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.757 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.61 49.79 74.75 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.419 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.598 ' HB3' HG23 ' A' ' 33' ' ' VAL . 86.1 m-70 -75.18 44.96 0.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.967 0.413 . . . . 0.0 111.442 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -57.51 -19.57 25.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.954 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -64.16 -33.53 75.99 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.048 HG11 HD11 ' A' ' 21' ' ' LEU . 57.6 t -64.06 -48.08 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.267 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.19 -36.5 93.08 Favored Glycine 0 CA--C 1.501 -0.808 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.437 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -60.59 -38.2 83.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.416 0.627 . . . . 0.0 109.613 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.713 ' CB ' ' HG ' ' B' ' 14' ' ' LEU . 17.0 mmt85 -71.73 -48.82 44.46 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.762 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.894 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.7 mt -54.28 -44.75 72.15 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.492 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' HD11 ' B' ' 41' ' ' LEU . 38.3 tt0 -68.64 -53.56 21.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.029 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.3 t -45.46 -45.35 12.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.384 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.972 HD13 HD23 ' B' ' 17' ' ' LEU . 79.6 mt -49.51 -55.22 14.09 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.911 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.8 HD22 ' ND2' ' A' ' 45' ' ' ASN . 7.4 mt -73.19 -55.04 6.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -46.84 -27.65 1.3 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.8 mmt180 -88.74 -35.23 16.82 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.063 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.783 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 53.3 t-105 -67.59 -59.2 3.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.669 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.8 ' ND2' HD22 ' A' ' 41' ' ' LEU . 63.4 m-80 -57.42 -34.09 68.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.878 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -68.47 -46.48 69.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.673 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.5 mtt-85 -60.1 -36.29 77.11 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.689 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.698 HH22 ' HA2' ' B' ' 29' ' ' GLY . 37.3 mtp85 -56.99 -55.22 37.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.46 0.647 . . . . 0.0 109.461 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.04 -36.74 75.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.054 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 47.42 37.78 6.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.242 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . . . -177.68 132.76 0.34 Allowed Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 51' ' ' ALA . 25.6 Cg_exo -62.73 130.42 29.52 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.481 2.12 . . . . 0.0 112.093 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.0 p -177.13 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.766 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.55 136.32 0.34 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.9 m -60.61 130.57 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.35 -138.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.9 tt -174.14 136.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.3 t -173.39 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.45 135.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.076 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -78.89 43.1 0.48 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.309 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.11 136.73 58.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.062 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.44 134.55 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.561 ' N ' ' HD3' ' B' ' 6' ' ' PRO . 47.6 t -171.14 53.85 0.2 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' B' ' 5' ' ' SER . 83.0 Cg_endo -88.82 153.99 6.04 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.928 2.419 . . . . 0.0 112.879 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 65.08 30.36 11.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.776 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.54 HG21 ' OG ' ' B' ' 5' ' ' SER . 84.4 t -80.02 66.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.68 ' O ' HG22 ' B' ' 10' ' ' ILE . 34.9 m-20 69.19 -0.88 2.33 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.759 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.049 HD13 HD13 ' A' ' 24' ' ' LEU . 5.6 tp 60.95 -58.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 124.379 1.049 . . . . 0.0 112.344 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.726 ' HA2' HD23 ' B' ' 14' ' ' LEU . . . -58.93 -33.83 75.68 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.889 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.407 ' CG ' ' HB2' ' B' ' 9' ' ' ASP . 39.6 m-20 -51.48 -44.56 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.286 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.945 ' HE ' ' HA ' ' A' ' 17' ' ' LEU . 8.9 mtm-85 -69.75 -44.07 70.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 17' ' ' LEU . 1.2 mm? -50.7 -41.17 55.68 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.298 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.626 ' O ' ' HD3' ' B' ' 19' ' ' LYS . 68.3 m-20 -60.0 -52.13 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -61.53 -37.57 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.355 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.972 HD23 HD13 ' A' ' 40' ' ' LEU . 8.0 tp -60.96 -46.0 92.47 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.52 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 37.5 tt0 -66.88 -54.33 23.31 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.309 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.626 ' HD3' ' O ' ' B' ' 15' ' ' ASP . 13.3 mptt -50.05 -37.65 34.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -63.6 -50.95 67.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.87 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 25' ' ' SER . 9.8 mp -63.4 -28.83 70.25 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.734 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 47.6 mt-10 -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.28 -37.88 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.228 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' B' ' 30' ' ' HIS . 8.3 tp -87.54 12.03 13.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.354 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.595 ' N ' ' O ' ' B' ' 21' ' ' LEU . 92.0 p -53.1 86.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.33 -178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . . . 50.52 42.24 26.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.564 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HB2' ' NE2' ' B' ' 30' ' ' HIS . 73.0 mm-40 -62.67 -34.63 77.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.511 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -162.49 60.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 111.358 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.698 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 62.38 50.8 61.39 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.48 -0.866 . . . . 0.0 111.999 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.611 ' CD2' ' HG ' ' B' ' 24' ' ' LEU . 69.5 m-70 -75.4 41.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -54.19 -31.31 52.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.34 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.92 -43.41 69.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.611 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 1.001 HG22 HG21 ' A' ' 10' ' ' ILE . 10.0 t -61.72 -34.42 62.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 110.07 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -66.3 -42.24 94.18 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.193 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.66 -41.09 92.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.351 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 19.4 mmt85 -65.26 -49.57 69.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.87 -43.88 97.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.689 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.462 ' CA ' HD11 ' A' ' 41' ' ' LEU . 7.8 tm-20 -67.26 -41.07 86.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.667 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 46.6 t -59.1 -35.65 73.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.842 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.899 HD11 HD23 ' A' ' 14' ' ' LEU . 79.0 mt -55.58 -50.47 70.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.712 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.663 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 18.1 mt -73.51 -46.84 45.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -49.71 -36.2 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.0 mmt180 -87.3 -38.14 16.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.201 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.667 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 12.0 t-105 -56.69 -58.37 8.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.448 HD21 HD22 ' B' ' 41' ' ' LEU . 74.1 m-80 -64.6 -41.62 96.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.323 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.0 t -55.97 -45.4 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.9 mtt-85 -61.48 -39.09 89.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.757 HH22 ' HA2' ' A' ' 29' ' ' GLY . 41.8 mtp85 -57.26 -49.62 75.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.577 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.46 96.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.607 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 60.5 t0 54.34 39.91 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.647 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' B' ' 52' ' ' PRO . . . -179.4 130.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 51' ' ' ALA . 27.6 Cg_exo -62.03 130.59 31.37 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.549 2.166 . . . . 0.0 112.024 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.9 p -176.48 -140.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 7.0 t -175.4 136.81 0.36 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -60.5 130.1 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -176.6 -138.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 15.9 tt -175.54 136.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.879 0.371 . . . . 0.0 111.027 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -172.92 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.36 136.9 0.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.774 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 64.56 134.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.357 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.47 -139.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.0 -46.32 88.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.281 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.488 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 14.2 t 58.09 59.42 6.43 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 5' ' ' SER . 13.1 Cg_exo -65.93 -166.7 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.201 1.934 . . . . 0.0 112.288 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . 46.4 41.0 8.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.319 0.58 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.888 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.3 p -79.04 54.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.262 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 10' ' ' ILE . 11.0 t70 79.31 0.62 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.208 -1.36 . . . . 0.0 107.539 -177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.887 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 58.19 -44.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.985 -1.916 . . . . 0.0 114.834 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.54 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -67.07 -12.25 60.0 Favored Glycine 0 CA--C 1.489 -1.534 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.888 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.4 t0 -76.23 -38.96 55.7 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.856 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.15 -51.01 71.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 113.633 -1.621 . . . . 0.0 108.723 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD12 ' HA2' ' A' ' 11' ' ' GLY . 4.4 mt -63.46 -56.16 18.38 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.74 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.825 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 9.4 t0 -49.33 -56.83 8.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.399 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.591 ' HB3' ' NH1' ' B' ' 13' ' ' ARG . 52.4 mt-10 -56.1 -31.69 63.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.164 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 HD23 ' B' ' 17' ' ' LEU . 1.6 tt -68.84 -36.44 78.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.98 ' HB2' HD22 ' B' ' 40' ' ' LEU . 86.7 tt0 -72.49 -42.13 65.22 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.582 178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.825 ' HG3' ' O ' ' A' ' 15' ' ' ASP . 28.4 mtpt -59.41 -36.51 76.0 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.642 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.704 ' HA ' ' H ' ' B' ' 7' ' ' ALA . . . -68.53 -50.38 52.43 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.371 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.005 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.19 -45.33 79.85 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.852 -179.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 54.0 mt-10 -47.83 -31.5 5.05 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.379 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -75.68 -45.83 34.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.544 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -86.88 14.25 7.59 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 75.4 p -47.27 85.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.782 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.77 32.56 9.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.677 0.751 . . . . 0.0 111.146 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 59.2 mm-40 -62.19 -37.68 86.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.381 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -160.79 51.27 0.27 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.614 0.721 . . . . 0.0 111.349 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.767 ' HA2' HH22 ' B' ' 48' ' ' ARG . . . 60.23 48.9 83.84 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.601 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.643 ' HB3' HG23 ' A' ' 33' ' ' VAL . 84.6 m-70 -75.24 43.9 0.23 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.884 0.373 . . . . 0.0 111.336 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -58.05 -17.43 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.059 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.89 -33.4 75.74 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.485 0.66 . . . . 0.0 109.623 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 21' ' ' LEU . 55.4 t -62.25 -48.43 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.225 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.396 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -62.87 -36.98 94.14 Favored Glycine 0 CA--C 1.499 -0.907 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.585 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 10.8 mm100 -59.56 -38.04 80.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 109.95 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.3 mmt180 -74.61 -45.92 41.91 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.811 ' HG ' HD21 ' B' ' 14' ' ' LEU . 10.7 mt -52.98 -41.3 64.45 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.482 -1.235 . . . . 0.0 111.434 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -75.15 -47.76 26.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.181 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 75.6 m -51.34 -44.62 62.06 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.366 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' B' ' 37' ' ' LEU . 52.1 mt -52.42 -53.4 45.74 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.619 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.873 HD22 ' ND2' ' A' ' 45' ' ' ASN . 6.5 mt -71.65 -56.16 6.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.45 -0.796 . . . . 0.0 113.057 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -46.41 -28.21 1.29 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.2 mmt180 -88.33 -34.54 17.6 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.969 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.771 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 65.7 t-105 -69.42 -59.09 3.22 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.469 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.873 ' ND2' HD22 ' A' ' 41' ' ' LEU . 62.1 m-80 -56.29 -32.6 64.72 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.557 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.4 t -62.68 -47.7 82.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.715 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.902 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.3 mtt-85 -58.1 -33.89 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.15 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.569 HH22 ' HA2' ' B' ' 29' ' ' GLY . 28.2 mmm180 -54.36 -53.92 47.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.715 0.769 . . . . 0.0 109.477 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.32 72.63 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.29 -1.323 . . . . 0.0 111.405 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.4 t0 48.28 41.31 15.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.16 62.26 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.207 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HB2' ' H ' ' A' ' 53' ' ' SER . 44.4 Cg_endo -67.59 -135.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.692 2.261 . . . . 0.0 112.459 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 52' ' ' PRO . 44.0 t -168.83 51.92 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.7 t -167.6 -39.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.6 m -59.32 -43.39 92.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.25 137.96 58.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.779 ' O ' HD12 ' A' ' 57' ' ' ILE . 2.4 pp -58.02 148.41 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.68 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.3 m -69.99 -138.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -150.67 44.24 0.84 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.886 0.374 . . . . 0.0 110.74 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.875 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t 64.68 133.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.97 -139.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.29 97.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m 56.22 56.06 9.21 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.195 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.649 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 28.0 Cg_endo -64.74 -159.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.047 1.831 . . . . 0.0 111.875 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.704 ' H ' ' HA ' ' A' ' 20' ' ' ALA . . . 46.75 35.75 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.541 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.795 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.2 p -76.92 58.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.437 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.787 ' O ' HG22 ' B' ' 10' ' ' ILE . 54.7 t0 78.12 -9.29 1.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.794 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 70.5 -41.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 123.849 0.718 . . . . 0.0 111.19 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.21 -32.94 83.68 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.414 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.795 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.1 t0 -65.15 -43.43 91.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.128 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.591 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.3 mmp_? -58.26 -48.54 80.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.493 0.663 . . . . 0.0 109.788 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.811 HD21 ' HG ' ' A' ' 37' ' ' LEU . 4.2 mt -65.47 -44.61 86.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.385 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' B' ' 19' ' ' LYS . 9.8 t70 -59.01 -49.75 76.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 93.4 mt-10 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.114 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.667 HD13 ' HB2' ' A' ' 13' ' ' ARG . 4.0 tp -60.91 -36.73 80.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.602 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 40' ' ' LEU . 22.5 tt0 -69.05 -54.88 12.78 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.299 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' B' ' 15' ' ' ASP . 51.3 mtpt -53.8 -34.74 60.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 10' ' ' ILE . . . -68.29 -49.05 63.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.118 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.689 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.2 -39.53 75.57 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.008 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.523 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.4 mt-10 -46.63 -34.43 5.02 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -75.83 -44.74 39.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.626 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.634 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.7 mm? -90.02 11.56 20.27 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.068 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.902 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 88.3 p -49.41 82.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 111.871 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.61 40.91 24.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 67.7 mm-40 -70.48 -38.49 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.026 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.39 56.46 0.7 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.889 0.376 . . . . 0.0 111.319 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.569 ' HA2' HH22 ' A' ' 48' ' ' ARG . . . 61.17 48.62 84.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.173 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.594 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 64.7 m-70 -74.46 35.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.664 0.269 . . . . 0.0 111.61 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 29' ' ' GLY . 47.1 p-10 -50.81 -27.5 7.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 110.714 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.98 -42.16 79.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.542 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 10' ' ' ILE . 15.4 t -58.73 -35.26 54.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.901 0.381 . . . . 0.0 110.017 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -67.97 -41.68 87.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.928 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -61.75 -43.99 97.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 110.35 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 38.7 mmt180 -66.45 -50.16 64.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.149 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.13 -40.27 73.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.088 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 1.2 tt0 -70.87 -39.79 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.549 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 71.2 m -62.36 -42.74 99.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.98 HD22 ' HB2' ' A' ' 18' ' ' GLU . 50.0 mt -59.85 -48.14 82.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.562 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.647 HD13 ' CB ' ' A' ' 37' ' ' LEU . 8.4 tp -71.37 -38.53 71.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.731 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -60.57 -46.15 91.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 37.2 mmt180 -72.24 -37.67 69.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.636 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.632 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 27.6 t-105 -57.52 -52.03 67.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.748 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.461 HD21 ' HG ' ' B' ' 41' ' ' LEU . 76.3 m-20 -67.71 -38.81 84.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.873 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -53.67 -43.11 68.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.225 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 70.6 mtt-85 -63.09 -36.8 84.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.31 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.767 HH22 ' HA2' ' A' ' 29' ' ' GLY . 28.2 mmm180 -55.2 -48.04 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.655 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.25 99.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.881 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.0 t0 55.43 45.3 25.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.32 58.97 0.25 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.071 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.529 ' HB2' ' H ' ' B' ' 53' ' ' SER . 37.8 Cg_endo -65.36 -134.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.59 2.193 . . . . 0.0 112.404 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.529 ' H ' ' HB2' ' B' ' 52' ' ' PRO . 43.7 t -168.88 51.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.6 t -167.84 -39.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.823 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.02 138.01 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' B' ' 57' ' ' ILE . 2.6 pp -57.21 146.87 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.437 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.8 t -68.82 -137.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -151.68 44.66 0.76 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 0.0 110.773 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.19 -141.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.607 0.241 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.23 134.41 0.54 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.05 44.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.445 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.681 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 80.4 p -67.64 -42.84 37.82 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 5' ' ' SER . 4.1 Cg_endo -51.63 162.5 1.57 Allowed 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.924 1.749 . . . . 0.0 112.816 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.663 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 61.48 40.94 13.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.803 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.8 p -79.1 54.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.133 177.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.557 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 59.0 m-20 73.93 7.63 4.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.13 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.922 HG21 HG22 ' B' ' 33' ' ' VAL . 2.8 tp 52.29 -52.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 112.721 -2.036 . . . . 0.0 114.988 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.34 -12.03 23.12 Favored Glycine 0 CA--C 1.491 -1.437 0 C-N-CA 120.407 -0.902 . . . . 0.0 111.324 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.768 ' HB2' HG13 ' A' ' 8' ' ' VAL . 0.9 OUTLIER -72.42 -37.43 68.64 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 121.611 0.72 . . . . 0.0 109.811 179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 42.5 mtt-85 -71.49 -48.52 48.52 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 122.893 1.33 . . . . 0.0 109.164 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.884 HD23 HD11 ' B' ' 40' ' ' LEU . 3.3 mt -57.54 -51.0 71.25 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.084 -2.325 . . . . 0.0 112.082 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 19.8 t70 -55.62 -52.12 64.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.896 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.1 mt-10 -65.39 -24.85 67.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.936 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.816 HD21 HD22 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -67.74 -47.19 69.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.075 -179.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 14.4 tp10 -68.22 -41.71 80.87 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.74 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -61.73 -37.43 84.17 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.208 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -64.39 -50.16 68.74 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-O 122.442 1.115 . . . . 0.0 109.448 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.002 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.61 -44.06 76.69 Favored 'General case' 0 N--CA 1.422 -1.834 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.068 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.25 -33.43 3.7 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.118 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -47.13 23.58 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.214 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.856 HD23 HD13 ' B' ' 10' ' ' ILE . 2.7 mm? -76.65 12.56 1.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.097 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.4 p -46.84 79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.05 28.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.841 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.15 -29.75 70.61 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.858 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -154.55 50.08 0.61 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.496 0.665 . . . . 0.0 112.006 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 50.16 60.27 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.369 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.64 ' HB3' HG23 ' A' ' 33' ' ' VAL . 87.8 m-70 -76.84 43.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.169 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.69 -20.31 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 35' ' ' GLN . 30.2 t70 -66.48 -30.88 71.32 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.911 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.002 HG11 HD11 ' A' ' 21' ' ' LEU . 61.3 t -62.11 -49.97 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.099 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.585 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -64.34 -26.4 70.59 Favored Glycine 0 CA--C 1.504 -0.615 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 50.1 tp60 -68.76 -39.18 80.38 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.55 0.69 . . . . 0.0 109.293 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 25.8 mmt180 -72.6 -47.27 49.26 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.36 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' HG ' HD11 ' B' ' 14' ' ' LEU . 10.4 mt -54.19 -47.23 72.31 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.02 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' HD11 ' B' ' 41' ' ' LEU . 40.9 tt0 -65.46 -49.55 68.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.489 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.4 t -48.76 -44.23 38.46 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.176 -1.374 . . . . 0.0 109.227 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' B' ' 37' ' ' LEU . 92.8 mt -50.12 -55.78 13.58 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.738 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.786 HD22 ' ND2' ' A' ' 45' ' ' ASN . 10.2 mt -73.17 -54.41 8.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.392 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -46.28 -27.17 0.95 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' SER . 32.9 mmt180 -90.01 -35.6 15.42 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.077 177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.768 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.7 t-105 -69.7 -58.52 3.81 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.91 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.786 ' ND2' HD22 ' A' ' 41' ' ' LEU . 61.9 m-80 -55.79 -35.41 66.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.6 t -65.57 -46.46 79.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.737 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 57.1 mtt-85 -58.81 -34.68 71.78 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.0 mtp180 -54.49 -52.32 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.62 178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.96 -40.78 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.869 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.12 47.92 1.18 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.014 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . . . -56.06 132.42 74.32 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.269 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 51' ' ' ALA . 34.3 Cg_exo -60.31 -36.86 85.94 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.92 2.414 . . . . 0.0 112.553 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.8 p -76.36 50.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.469 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.6 p -58.54 137.39 57.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.064 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -170.9 44.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.777 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.44 44.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.219 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.68 135.12 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.6 p -69.23 -137.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.86 134.85 57.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.302 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.8 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -68.66 -139.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.743 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.79 135.17 0.38 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.63 39.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.522 ' HB3' ' HD3' ' B' ' 6' ' ' PRO . 45.3 t -62.52 -46.55 89.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' B' ' 5' ' ' SER . 50.1 Cg_exo -52.25 159.6 4.1 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.274 1.982 . . . . 0.0 112.25 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.543 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . 65.2 38.75 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 8' ' ' VAL . 12.9 p -78.39 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.464 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.811 ' O ' HG22 ' B' ' 10' ' ' ILE . 59.4 m-20 77.6 -4.8 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.298 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.871 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.5 tp 67.03 -48.28 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 O-C-N 124.325 1.016 . . . . 0.0 111.999 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.31 89.41 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.077 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.55 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -55.07 -49.71 70.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.697 0.248 . . . . 0.0 111.387 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.665 ' HB3' HD22 ' A' ' 17' ' ' LEU . 75.2 mtt-85 -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.651 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.871 HD23 ' O ' ' B' ' 10' ' ' ILE . 4.0 mm? -57.58 -46.75 83.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 38.6 t70 -64.05 -49.87 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.271 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 49.6 mt-10 -62.32 -39.48 93.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.288 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.761 HD11 ' HG ' ' A' ' 14' ' ' LEU . 5.4 tt -60.81 -42.87 98.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.2 tm-20 -65.72 -53.05 46.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 31.2 mmmt -50.96 -36.74 40.51 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.72 179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.663 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -68.28 -46.47 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.278 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.675 HD23 HD11 ' A' ' 10' ' ' ILE . 1.4 mt -57.47 -37.65 73.23 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.112 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.9 mt-10 -47.41 -40.25 17.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.461 . . . . 0.0 110.156 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.62 -42.44 61.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.65 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 10' ' ' ILE . 21.5 mt -90.06 12.95 16.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.737 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 96.8 p -51.21 79.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 112.262 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 49.86 38.42 15.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.123 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -75.64 -30.9 59.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.468 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -147.5 54.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.937 0.399 . . . . 0.0 111.091 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 53.68 50.09 55.24 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.608 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 66.7 m-70 -74.93 35.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.719 0.295 . . . . 0.0 111.76 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' B' ' 29' ' ' GLY . 28.7 t70 -49.66 -30.61 9.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.808 0.337 . . . . 0.0 110.619 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.14 -42.11 72.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.65 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.922 HG22 HG21 ' A' ' 10' ' ' ILE . 11.0 t -57.13 -38.53 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -67.69 -36.23 87.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.451 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.72 -48.87 77.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.658 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.61 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 81.0 mtt-85 -69.95 -45.42 67.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.642 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -45.39 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.871 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' CA ' HD11 ' A' ' 41' ' ' LEU . 8.0 tm-20 -68.09 -36.78 80.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.796 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.5 t -61.53 -36.32 80.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.783 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 83.0 mt -56.26 -50.18 72.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.505 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.647 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.7 mt -73.03 -41.47 64.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.2 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.35 -37.93 62.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.8 mmt180 -85.42 -39.64 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.194 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.684 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 14.9 t-105 -57.23 -56.21 24.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.243 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 75.0 m-80 -62.56 -42.55 99.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.385 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -55.54 -44.55 76.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.312 . . . . 0.0 110.612 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 73.2 mtt-85 -60.16 -36.62 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.421 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.508 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.7 mtp180 -56.5 -47.76 78.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.387 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.9 97.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.563 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -79.84 47.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 52' ' ' PRO . . . -55.41 133.37 70.33 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 51' ' ' ALA . 31.1 Cg_exo -59.35 -35.15 97.34 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.766 2.31 . . . . 0.0 112.188 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -75.96 49.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.552 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 69.3 p -60.16 137.12 58.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.045 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -171.39 44.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.68 45.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 tp -60.36 136.75 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 39.7 m -68.67 -138.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.34 135.35 57.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.802 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 t 57.51 45.58 19.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.9 -138.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.16 -140.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -175.62 56.47 0.15 Allowed Pre-proline 0 CA--C 1.53 0.196 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 9.9 Cg_endo -55.64 157.09 16.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.501 2.134 . . . . 0.0 112.896 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.564 ' CB ' HD21 ' B' ' 24' ' ' LEU . . . 61.57 38.49 15.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.484 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 12' ' ' ASP . 10.5 p -82.92 52.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.311 177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.622 ' O ' HG22 ' A' ' 10' ' ' ILE . 10.3 t70 80.31 -1.62 1.97 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.335 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.034 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 59.11 -42.24 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 112.921 -1.945 . . . . 0.0 114.445 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -68.23 -12.32 63.02 Favored Glycine 0 CA--C 1.49 -1.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.903 ' HB3' HG13 ' A' ' 8' ' ' VAL . 60.0 t0 -75.66 -38.84 58.49 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.854 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.4 mmp_? -59.94 -52.4 65.57 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.682 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD23 HD22 ' B' ' 40' ' ' LEU . 3.8 mt -61.61 -53.74 52.19 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.062 -2.335 . . . . 0.0 112.881 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 53.4 t0 -48.91 -49.18 41.15 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.707 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 44.8 mt-10 -62.54 -27.38 69.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.309 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.71 HD11 ' HG ' ' B' ' 14' ' ' LEU . 18.3 tp -73.49 -46.85 45.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.277 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.612 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 41.8 tt0 -66.14 -42.99 88.32 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 10.7 mmmm -63.13 -38.5 91.43 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.338 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.55 -47.48 81.39 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.483 1.135 . . . . 0.0 109.445 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.095 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -58.43 -44.15 89.02 Favored 'General case' 0 N--CA 1.42 -1.961 0 CA-C-N 112.876 -1.965 . . . . 0.0 110.705 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 53.9 mt-10 -47.9 -30.15 3.91 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.195 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.55 -46.96 24.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.339 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 10' ' ' ILE . 7.2 mp -85.85 14.49 5.91 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.534 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 49.3 m -45.98 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.256 0.348 . . . . 0.0 111.937 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . . . 51.53 32.4 8.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.67 0.748 . . . . 0.0 111.131 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 44.1 mm-40 -59.61 -37.9 79.83 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.553 -1.203 . . . . 0.0 113.255 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -162.91 51.74 0.18 Allowed 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 121.493 0.664 . . . . 0.0 111.291 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.66 50.39 68.07 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.451 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.619 ' HB3' HG23 ' A' ' 33' ' ' VAL . 76.2 m-70 -75.1 46.28 0.31 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.0 111.25 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.6 -21.83 41.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.02 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.735 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 27.4 t70 -64.52 -28.05 69.39 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.605 0.717 . . . . 0.0 109.853 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.095 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -69.22 -47.09 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.417 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -67.65 -29.32 73.8 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.693 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.735 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 5.5 pt20 -66.93 -37.37 84.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.697 ' HB2' HD13 ' B' ' 14' ' ' LEU . 38.4 mmt180 -75.77 -44.15 42.98 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.781 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.7 mt -55.67 -45.63 77.68 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' N ' HD11 ' B' ' 41' ' ' LEU . 22.9 tt0 -69.15 -50.95 43.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.693 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 38.6 m -50.21 -40.34 46.97 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.382 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' B' ' 37' ' ' LEU . 15.1 mt -52.98 -52.73 57.3 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.692 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.822 HD22 ' ND2' ' A' ' 45' ' ' ASN . 9.7 mt -73.03 -54.67 7.97 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 42' ' ' ARG . 14.6 tpp85 -47.17 -26.74 1.22 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 39' ' ' SER . 26.6 mmm180 -90.11 -35.08 15.64 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.013 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.797 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 61.3 t-105 -70.03 -58.92 3.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.787 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.822 ' ND2' HD22 ' A' ' 41' ' ' LEU . 62.7 m-80 -55.66 -35.22 65.74 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.878 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 t -65.12 -46.97 78.81 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.291 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.831 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 98.3 mtt180 -58.74 -35.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.493 ' NH2' ' HB2' ' B' ' 31' ' ' ASP . 48.7 mtp85 -56.37 -53.28 59.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.404 0.621 . . . . 0.0 109.662 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.68 -34.39 71.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.063 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.3 82.85 0.14 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.46 134.29 1.84 Allowed Pre-proline 0 C--N 1.332 -0.196 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.41 137.28 54.78 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.665 2.244 . . . . 0.0 112.422 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -59.05 139.43 56.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 t -55.96 137.03 51.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.421 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -61.94 138.93 58.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.2 -45.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.55 135.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.9 m -65.66 -52.8 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -68.95 136.82 53.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.056 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.692 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 t 57.14 45.92 19.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.87 -137.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.14 -138.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.641 0.258 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -172.34 57.12 0.23 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -57.38 153.57 40.1 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 65.54 34.5 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' B' ' 12' ' ' ASP . 8.9 p -80.94 52.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.489 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.797 ' O ' HG22 ' B' ' 10' ' ' ILE . 9.6 t70 83.4 -12.38 0.85 Allowed 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.448 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 24' ' ' LEU . 3.3 tp 71.36 -39.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 123.839 0.712 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.91 -33.34 83.68 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.733 ' HB3' HG13 ' B' ' 8' ' ' VAL . 64.9 t0 -64.63 -45.01 88.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.899 0.381 . . . . 0.0 109.994 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.617 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -58.74 -48.24 81.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.383 0.611 . . . . 0.0 109.608 179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.781 HD21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 mt -63.26 -44.58 94.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.315 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 64.0 t0 -57.78 -47.13 83.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 49.6 mt-10 -63.27 -39.81 95.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.485 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 14' ' ' LEU . 14.1 tp -63.36 -43.56 97.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.406 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 40' ' ' LEU . 26.9 tt0 -64.77 -55.75 17.85 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.624 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 13.7 mmmm -53.74 -35.48 61.26 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.562 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.64 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.31 -48.64 66.99 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.256 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.681 HD22 HG11 ' B' ' 33' ' ' VAL . 1.1 mt -57.68 -38.66 75.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.32 -34.58 4.63 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.46 -45.94 35.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.578 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.643 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.5 mm? -89.08 11.49 18.3 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.831 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 97.1 p -48.66 82.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.73 41.72 26.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.218 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.37 -39.03 81.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.876 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.87 60.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 50.37 68.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.15 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.58 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 55.8 m-70 -74.44 39.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 0.0 111.609 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.493 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 8.6 t70 -51.24 -30.07 16.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 8.8 t0 -53.67 -41.05 66.44 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.314 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 1.034 HG22 HG21 ' A' ' 10' ' ' ILE . 10.1 t -64.31 -33.14 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 109.922 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -69.54 -44.03 65.99 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.687 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 19.7 pt20 -63.58 -39.45 94.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.89 0.345 . . . . 0.0 110.46 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.601 ' O ' HD13 ' B' ' 40' ' ' LEU . 39.0 mmt180 -70.51 -49.34 49.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.23 0.538 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.779 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 16.6 tp -60.42 -36.2 77.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 4.7 tt0 -75.04 -44.72 46.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.318 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -39.54 79.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.141 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.618 HD22 HD23 ' A' ' 14' ' ' LEU . 5.0 mp -54.77 -43.77 73.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.627 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 12.8 mt -75.85 -45.48 35.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 42' ' ' ARG . 14.9 tpp85 -51.9 -35.9 47.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 27.5 mmm180 -85.18 -39.96 17.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.111 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.649 ' CZ3' HD12 ' A' ' 21' ' ' LEU . 16.9 t-105 -57.71 -58.94 6.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.518 HD21 HD22 ' B' ' 41' ' ' LEU . 74.9 m-80 -61.06 -41.42 96.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.2 t -55.46 -44.51 76.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 99.4 mtt180 -61.47 -38.24 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.648 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 46.6 mtp85 -56.77 -48.06 78.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.445 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.27 94.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.645 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.68 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.936 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.73 134.52 1.23 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.971 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.05 137.87 59.37 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.636 2.224 . . . . 0.0 112.379 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.2 m -58.61 139.58 55.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -56.98 135.36 56.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -60.31 138.26 57.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.971 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.35 -45.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 7.5 tp -175.68 135.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.993 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 52.6 m -66.15 -52.73 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.03 135.58 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.854 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 p -171.86 46.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.08 133.82 55.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 47.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.537 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.598 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 69.7 m -61.92 -50.3 81.67 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.658 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 5' ' ' SER . 10.7 Cg_endo -56.4 155.0 27.06 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.09 1.86 . . . . 0.0 112.548 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HA ' HD21 ' B' ' 24' ' ' LEU . . . 60.75 35.84 19.5 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.063 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 12' ' ' ASP . 8.4 p -82.03 53.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.733 -1.121 . . . . 0.0 107.992 177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 59.3 m-20 77.75 2.78 2.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.933 -1.485 . . . . 0.0 107.503 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.992 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 56.18 -45.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 115.0 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -64.53 -12.35 51.75 Favored Glycine 0 CA--C 1.492 -1.358 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.902 ' HB3' HG13 ' A' ' 8' ' ' VAL . 4.8 t70 -75.28 -38.52 60.38 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HG3' HD12 ' A' ' 10' ' ' ILE . 1.3 mmp_? -61.66 -51.81 66.9 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 113.584 -1.644 . . . . 0.0 108.762 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD23 HD11 ' B' ' 40' ' ' LEU . 4.5 mt -61.84 -52.99 61.9 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.852 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 9.9 t0 -49.58 -50.54 42.09 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.771 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 43.8 mt-10 -62.05 -27.33 68.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.121 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' B' ' 14' ' ' LEU . 2.9 tp -69.89 -47.69 61.54 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.077 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.7 tt0 -65.5 -42.72 91.79 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.423 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 20.2 mmmt -59.35 -37.38 77.7 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.152 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -67.78 -50.73 55.46 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.273 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -56.9 -44.71 82.63 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 113.291 -1.777 . . . . 0.0 110.719 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.7 mt-10 -47.63 -31.84 4.98 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.313 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -74.3 -47.08 36.99 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.174 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.033 HD13 HD13 ' B' ' 10' ' ' ILE . 7.0 mp -85.56 14.19 5.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.655 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HZ3' ' B' ' 44' ' ' TRP . 76.2 p -47.12 86.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.816 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 51.5 30.82 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.699 0.761 . . . . 0.0 111.221 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 4.9 mm-40 -60.35 -37.0 79.32 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.215 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -161.8 50.98 0.22 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.505 0.669 . . . . 0.0 111.458 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 50.32 68.99 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.481 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.627 ' HB3' HG23 ' A' ' 33' ' ' VAL . 78.2 m-70 -74.95 45.14 0.25 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.983 0.42 . . . . 0.0 111.324 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.71 -19.89 19.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.076 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -64.25 -34.3 77.79 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.681 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 21' ' ' LEU . 58.7 t -62.57 -48.04 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 114.713 -1.13 . . . . 0.0 111.139 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.526 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -61.78 -34.51 88.95 Favored Glycine 0 CA--C 1.504 -0.626 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.769 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.2 mm-40 -62.23 -39.21 92.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.386 0.612 . . . . 0.0 109.969 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 27.7 mmt180 -71.49 -46.31 60.16 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.538 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' B' ' 14' ' ' LEU . 9.8 mt -56.88 -45.36 82.57 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 113.876 -1.511 . . . . 0.0 112.302 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 41' ' ' LEU . 35.1 tt0 -68.98 -49.27 59.39 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.609 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 21.2 t -50.49 -43.71 55.67 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.751 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.761 ' HB3' HD21 ' B' ' 37' ' ' LEU . 22.9 mt -49.09 -53.59 19.85 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.745 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 45' ' ' ASN . 10.0 mt -74.34 -55.46 5.99 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.212 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.609 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -45.95 -28.46 1.14 Allowed 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.3 mmt180 -88.38 -36.39 16.6 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.017 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.796 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.9 t-105 -68.25 -59.05 3.5 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.781 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 41' ' ' LEU . 65.9 m-80 -56.8 -35.07 68.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.905 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.84 -47.81 79.29 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.205 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.926 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 58.1 mtt85 -59.61 -34.92 73.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.53 ' HD3' ' HA ' ' A' ' 45' ' ' ASN . 79.1 mtp180 -55.39 -52.39 63.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.449 0.642 . . . . 0.0 109.661 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.55 -33.98 66.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.074 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -78.6 46.28 0.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.282 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.76 133.29 0.81 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -77.23 44.11 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.733 2.289 . . . . 0.0 112.654 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.7 m 57.68 48.57 13.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.1 p -56.98 137.16 55.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -171.3 137.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.15 44.28 16.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -61.98 134.04 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.837 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.492 ' N ' HD13 ' A' ' 57' ' ' ILE . 45.0 t -171.68 45.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.737 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.0 135.63 57.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.901 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -163.37 44.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.34 133.29 55.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 43.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.64 ' N ' ' HD2' ' B' ' 6' ' ' PRO . 33.1 t -60.02 -49.17 92.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' B' ' 5' ' ' SER . 18.6 Cg_endo -59.81 153.84 53.85 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.31 2.007 . . . . 0.0 111.932 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 64.48 33.15 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.688 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.794 HG13 ' HB3' ' B' ' 12' ' ' ASP . 11.4 p -80.36 53.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.521 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.764 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.1 m-20 79.39 -7.31 1.74 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.493 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 1.033 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 tp 69.09 -46.51 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 124.185 0.928 . . . . 0.0 111.408 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.4 ' N ' ' CG2' ' B' ' 10' ' ' ILE . . . -58.88 -35.22 81.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.57 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.794 ' HB3' HG13 ' B' ' 8' ' ' VAL . 8.1 t70 -61.84 -42.48 99.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.028 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.529 ' NH1' ' HB3' ' A' ' 16' ' ' GLU . 1.2 mmp_? -61.67 -48.52 80.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.321 0.581 . . . . 0.0 109.84 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 10' ' ' ILE . 3.6 mm? -60.0 -44.71 94.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.221 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.34 -48.74 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.18 -42.91 99.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.642 0.258 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.537 HD11 ' HG ' ' A' ' 14' ' ' LEU . 12.9 tp -61.25 -41.99 97.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.529 ' HB2' HD21 ' A' ' 40' ' ' LEU . 58.1 tt0 -64.28 -57.3 9.83 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 29.2 mtpp -55.57 -32.28 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.63 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . . . -67.11 -47.87 69.86 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.72 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.698 HD22 HG11 ' B' ' 33' ' ' VAL . 1.2 mt -59.15 -38.58 80.06 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.545 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.2 mt-10 -45.63 -34.94 3.72 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.7 -47.38 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.336 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.633 HD22 ' N ' ' B' ' 24' ' ' LEU . 1.6 mm? -86.26 11.0 13.06 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.67 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.926 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 94.1 p -48.39 80.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.21 0.529 . . . . 0.0 112.236 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 47.84 39.27 10.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.812 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -73.93 -30.45 62.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -154.35 54.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.376 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.19 50.73 62.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.185 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.59 ' O ' ' HZ2' ' A' ' 44' ' ' TRP . 61.1 m-70 -74.69 39.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.79 0.328 . . . . 0.0 111.851 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.12 -30.81 11.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.591 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -54.66 -42.61 71.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.72 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.992 HG22 HG21 ' A' ' 10' ' ' ILE . 13.2 t -59.35 -39.29 78.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.948 0.404 . . . . 0.0 110.323 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.561 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -68.68 -37.15 84.31 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.131 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -61.72 -45.95 91.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.835 0.35 . . . . 0.0 110.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 82.3 mtt-85 -73.04 -45.31 58.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.522 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.796 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 20.4 tp -58.0 -38.43 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.836 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 34' ' ' GLY . 7.0 tt0 -71.63 -42.01 68.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.6 t -58.71 -36.17 73.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.021 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.797 HD11 HD23 ' A' ' 14' ' ' LEU . 91.3 mt -54.57 -48.11 72.46 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.684 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 19.6 mt -75.19 -41.89 56.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.042 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -52.87 -37.32 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.708 ' HB3' HH12 ' B' ' 47' ' ' ARG . 36.6 mmt180 -86.78 -38.97 16.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.325 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.684 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -58.02 -58.82 6.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.596 ' HA ' ' HD3' ' B' ' 48' ' ' ARG . 74.7 m-80 -62.72 -40.12 96.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.263 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -54.3 -46.01 72.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.527 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.708 HH12 ' HB3' ' B' ' 43' ' ' ARG . 54.4 mtt85 -62.24 -36.44 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.628 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.596 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 78.3 mtp180 -55.87 -47.35 77.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.376 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.63 78.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -76.81 46.0 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.69 132.44 0.92 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.03 44.55 1.49 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.748 2.299 . . . . 0.0 112.624 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 52.6 m 57.46 48.16 15.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -56.65 136.96 54.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 47.6 t -171.78 136.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.54 45.95 12.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.243 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 tt -60.05 139.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.986 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -174.38 43.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.69 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.26 134.61 56.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.845 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.89 -44.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.04 97.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 134.24 56.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 77.3 p -175.47 135.24 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.669 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.582 ' HB3' ' HA ' ' B' ' 20' ' ' ALA . 3.7 Cg_exo -72.71 164.92 34.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.357 2.038 . . . . 0.0 112.137 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' H ' ' HB1' ' B' ' 20' ' ' ALA . . . 58.64 37.07 25.34 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.415 0.626 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.859 HG13 ' HB2' ' A' ' 12' ' ' ASP . 8.2 p -80.22 54.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.229 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 58.9 m-20 75.26 6.41 4.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.097 -1.41 . . . . 0.0 107.325 -176.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.961 HG21 HG22 ' B' ' 33' ' ' VAL . 2.9 tp 55.32 -50.02 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 112.779 -2.01 . . . . 0.0 114.959 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 14' ' ' LEU . . . -63.51 -11.95 43.84 Favored Glycine 0 CA--C 1.492 -1.369 0 C-N-CA 120.419 -0.896 . . . . 0.0 111.247 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.859 ' HB2' HG13 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -72.0 -38.6 69.61 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-O 121.782 0.801 . . . . 0.0 109.263 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HD3' ' HA ' ' B' ' 17' ' ' LEU . 4.6 mtp85 -66.19 -50.21 64.69 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.266 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 HD11 ' B' ' 40' ' ' LEU . 4.3 mt -57.99 -52.71 64.38 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 112.106 -2.316 . . . . 0.0 112.328 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 8.3 t0 -53.51 -51.86 61.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.853 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 49.2 mt-10 -65.4 -25.33 67.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.105 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER -68.76 -45.12 72.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.808 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 87.0 tt0 -68.12 -42.27 80.47 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.534 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 67.8 mmtt -62.42 -38.48 89.87 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.31 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -63.49 -49.9 71.76 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 122.424 1.107 . . . . 0.0 109.127 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.019 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.9 -44.24 73.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 112.834 -1.984 . . . . 0.0 111.047 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 55.4 mt-10 -46.54 -32.47 3.42 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.203 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' CB ' ' HB2' ' B' ' 7' ' ' ALA . . . -76.56 -46.77 24.9 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.139 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.806 HD23 HD13 ' B' ' 10' ' ' ILE . 1.5 mm? -77.93 11.92 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.048 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' LEU . 29.5 t -46.0 82.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 44.15 29.41 0.35 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 111.354 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 49.0 mm-40 -62.37 -34.53 76.86 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.639 -1.164 . . . . 0.0 113.029 -178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -157.23 50.43 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.534 0.683 . . . . 0.0 112.133 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.9 51.2 58.58 Favored Glycine 0 N--CA 1.441 -1.019 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.133 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 33' ' ' VAL . 83.5 m-70 -76.22 45.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.151 0.501 . . . . 0.0 111.181 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -56.75 -20.69 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.588 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 1.5 m-20 -65.02 -32.53 74.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.35 0.595 . . . . 0.0 109.552 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.019 HG11 HD11 ' A' ' 21' ' ' LEU . 54.1 t -62.62 -49.56 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.839 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.592 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -66.17 -28.37 73.64 Favored Glycine 0 CA--C 1.504 -0.605 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.649 ' HG2' HH11 ' A' ' 36' ' ' ARG . 0.3 OUTLIER -68.68 -36.84 79.03 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' B' ' 14' ' ' LEU . 44.0 mmt-85 -76.11 -44.95 36.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' HD21 ' B' ' 14' ' ' LEU . 9.8 mt -54.06 -47.52 71.56 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.746 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' N ' HD11 ' B' ' 41' ' ' LEU . 23.3 tt0 -65.85 -51.49 58.43 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.64 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 23.0 t -47.01 -45.29 21.07 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.273 -1.331 . . . . 0.0 109.343 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' B' ' 37' ' ' LEU . 86.2 mt -50.09 -54.56 19.66 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.822 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.814 HD22 ' ND2' ' A' ' 45' ' ' ASN . 8.6 mt -73.21 -55.3 6.63 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.671 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 3.6 tmt_? -46.08 -29.07 1.36 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 39' ' ' SER . 33.2 mmt180 -87.45 -35.74 18.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.174 177.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.779 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 60.5 t-105 -68.99 -59.42 3.06 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.895 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.814 ' ND2' HD22 ' A' ' 41' ' ' LEU . 61.4 m-80 -54.85 -34.12 62.55 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.646 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -65.77 -46.88 77.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.822 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 55.5 mtt-85 -58.36 -35.59 72.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.3 -52.77 62.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.616 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -35.13 69.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.937 -1.028 . . . . 0.0 111.092 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -80.0 48.45 0.98 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.51 133.6 82.01 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 111.348 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.01 134.37 64.04 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.155 2.57 . . . . 0.0 112.337 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.1 t 56.43 -135.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.9 m -163.25 -45.63 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.0 p -174.03 43.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.2 44.97 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.344 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m 56.86 -138.79 0.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.024 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -173.94 -44.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.01 134.6 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 79.4 p -173.56 131.88 0.57 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 5' ' ' SER . 19.8 Cg_exo -65.72 161.3 39.54 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 112.077 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . 62.06 36.36 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.861 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.764 HG13 ' HB2' ' B' ' 12' ' ' ASP . 10.2 p -79.84 54.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.564 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.838 ' O ' HG22 ' B' ' 10' ' ' ILE . 58.5 m-20 80.02 -5.29 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.607 -178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.838 HG22 ' O ' ' B' ' 9' ' ' ASP . 3.7 tp 68.31 -41.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 124.182 0.926 . . . . 0.0 112.136 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' B' ' 14' ' ' LEU . . . -68.86 -31.6 72.99 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.339 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.764 ' HB2' HG13 ' B' ' 8' ' ' VAL . 1.2 m-20 -59.98 -48.95 79.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.436 0.16 . . . . 0.0 111.237 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.618 ' CB ' HD22 ' A' ' 17' ' ' LEU . 8.0 mtp85 -62.87 -42.32 99.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.0 110.085 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -61.6 -46.52 89.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.341 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 34.5 t70 -62.88 -47.18 84.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.787 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 56.1 mt-10 -64.97 -39.88 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.708 HD11 ' HG ' ' A' ' 14' ' ' LEU . 4.3 tt -61.01 -39.99 91.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 23.1 tt0 -65.87 -53.28 41.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.24 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 15' ' ' ASP . 75.7 mmtt -54.25 -35.49 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.487 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' H ' ' A' ' 7' ' ' ALA . . . -65.58 -48.56 71.95 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.103 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.729 HD22 HG11 ' B' ' 33' ' ' VAL . 1.8 mt -56.64 -38.45 72.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' B' ' 19' ' ' LYS . 55.3 mt-10 -46.55 -36.65 7.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.037 0.446 . . . . 0.0 109.889 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.25 -45.56 55.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.708 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.651 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.9 mp -91.91 13.3 18.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.279 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.822 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 90.4 p -48.7 82.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 111.807 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.08 39.3 18.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.202 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 57.5 mm-40 -71.77 -34.78 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.896 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -153.61 55.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.329 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.95 50.47 65.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.15 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.651 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 68.8 m-70 -74.97 39.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 111.76 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -49.9 -32.88 15.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.272 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.15 -42.34 66.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.787 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.961 HG22 HG21 ' A' ' 10' ' ' ILE . 11.6 t -59.82 -37.72 72.88 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.458 ' N ' ' HE1' ' A' ' 44' ' ' TRP . . . -68.01 -37.33 87.51 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.304 -0.719 . . . . 0.0 111.304 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.76 -44.74 89.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 110.329 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 44.9 mmt-85 -67.52 -49.02 65.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -57.44 -46.09 83.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.731 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.422 ' CA ' HD11 ' A' ' 41' ' ' LEU . 6.5 tm-20 -67.23 -38.83 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.222 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t -60.81 -36.47 79.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.924 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.829 HD11 HD23 ' A' ' 14' ' ' LEU . 90.9 mt -56.47 -50.52 71.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.587 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.68 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.1 mt -72.47 -43.18 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.405 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' O ' ' B' ' 42' ' ' ARG . 3.3 tmt_? -51.2 -40.3 58.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.567 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 36.2 mmt180 -83.79 -39.81 19.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.445 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.68 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.4 t-105 -56.82 -60.5 3.48 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.445 HD21 HD22 ' B' ' 41' ' ' LEU . 75.1 m-80 -59.57 -39.68 84.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -56.28 -44.08 79.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.568 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 43' ' ' ARG . 74.4 mtt-85 -61.01 -37.89 84.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.589 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.6 mtp180 -55.79 -47.8 76.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.503 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.13 87.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.93 49.38 0.78 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.09 136.81 80.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.73 134.64 58.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.6 2.2 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.7 t 57.44 -135.44 1.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 85.3 m -162.74 -46.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.79 0.329 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -174.38 43.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.94 44.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.286 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.8 -45.5 97.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 53.1 m 56.88 -138.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.78 135.17 57.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.985 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -61.89 -44.31 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.809 0.338 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.92 47.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.7 137.12 1.68 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 32.5 t -172.37 133.03 0.73 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.715 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 13' ' ' ARG . 7.8 Cg_exo -70.35 -172.05 0.59 Allowed 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.239 1.959 . . . . 0.0 111.988 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' B' ' 24' ' ' LEU . . . 48.24 41.28 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.374 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 12' ' ' ASP . 7.4 p -78.81 55.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 43.8 m-20 74.72 7.46 4.39 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.31 -1.313 . . . . 0.0 107.509 -176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.912 HG21 HG22 ' B' ' 33' ' ' VAL . 3.5 tp 51.79 -53.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 112.868 -1.969 . . . . 0.0 114.823 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . -60.99 -12.1 28.03 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.059 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.646 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.3 m-20 -72.62 -36.51 68.09 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-O 121.463 0.649 . . . . 0.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.844 HH11 ' HB2' ' B' ' 20' ' ' ALA . 23.9 mtt180 -73.87 -48.33 31.77 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 122.666 1.222 . . . . 0.0 109.364 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.925 ' HG ' HD11 ' B' ' 17' ' ' LEU . 1.7 mt -57.1 -53.67 55.47 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.794 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 31.6 t0 -51.75 -52.58 47.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 45.7 mt-10 -63.0 -29.54 70.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.2 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.872 HD23 HD13 ' B' ' 40' ' ' LEU . 27.8 tp -64.05 -48.35 76.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.424 0.631 . . . . 0.0 110.482 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HB2' ' CD2' ' B' ' 40' ' ' LEU . 32.0 tt0 -64.24 -41.58 96.91 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.761 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 24.1 mmmt -62.99 -36.89 85.04 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.171 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.833 ' HB2' HH11 ' B' ' 13' ' ' ARG . . . -64.55 -50.54 66.89 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.5 1.143 . . . . 0.0 109.152 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.988 HD11 HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -54.03 -44.35 70.9 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.944 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 51.4 mt-10 -46.63 -32.66 3.64 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.241 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -76.82 -45.77 27.41 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.425 -1.261 . . . . 0.0 109.128 178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 HD13 ' B' ' 10' ' ' ILE . 1.6 mm? -78.53 11.97 2.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.007 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 77.4 p -47.18 81.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . 45.01 28.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.317 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 5.1 mm-40 -63.09 -33.69 75.98 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.038 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -155.4 50.19 0.56 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.542 0.687 . . . . 0.0 111.926 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.28 48.58 79.23 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.33 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.665 ' HB3' HG23 ' A' ' 33' ' ' VAL . 88.8 m-70 -76.69 43.99 0.35 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.819 0.343 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.1 p-10 -59.86 -16.14 26.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.093 0.473 . . . . 0.0 110.19 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.73 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.4 p-10 -69.2 -24.48 64.04 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.747 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.988 HG11 HD11 ' A' ' 21' ' ' LEU . 58.6 t -67.88 -46.23 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.328 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.435 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.582 ' HA2' ' HB2' ' A' ' 37' ' ' LEU . . . -65.24 -29.51 75.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.567 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.696 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.6 mmt180 -73.54 -46.06 49.81 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 177.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 10.0 mt -55.51 -48.17 75.08 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 113.918 -1.492 . . . . 0.0 112.1 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' N ' HD11 ' B' ' 41' ' ' LEU . 18.1 tt0 -66.4 -47.63 72.68 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.695 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 22.8 t -51.23 -45.12 61.83 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.145 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HB3' HD11 ' B' ' 37' ' ' LEU . 89.9 mt -48.95 -53.99 17.46 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.633 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' ND2' ' A' ' 45' ' ' ASN . 11.0 mt -73.66 -54.89 7.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 42' ' ' ARG . 43.8 mmt-85 -47.35 -26.34 1.25 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.216 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 39' ' ' SER . 31.9 mmt180 -89.6 -34.77 16.2 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.638 177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.765 ' CZ2' ' HB ' ' B' ' 33' ' ' VAL . 59.0 t-105 -71.21 -60.05 2.44 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.023 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.831 ' ND2' HD22 ' A' ' 41' ' ' LEU . 67.7 m-80 -56.41 -38.91 72.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.087 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.7 t -63.2 -47.01 84.37 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.492 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.802 ' HD3' ' HB2' ' B' ' 25' ' ' SER . 56.8 mtt85 -60.28 -35.51 75.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -55.89 -52.79 62.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.422 0.629 . . . . 0.0 109.599 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.4 75.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.166 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -79.78 45.82 0.73 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.337 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.05 134.93 0.7 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.68 -45.32 8.92 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.578 2.186 . . . . 0.0 112.225 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.82 135.58 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -163.06 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 p -173.0 134.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 65.12 134.39 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.363 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.96 -45.66 94.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.7 t -174.28 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.678 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.34 135.39 56.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.76 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -61.69 -44.5 96.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.6 46.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.74 136.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 47.8 t -172.68 131.97 0.66 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.574 ' HA ' ' CZ ' ' B' ' 13' ' ' ARG . 20.5 Cg_exo -65.46 -162.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.498 2.132 . . . . 0.0 112.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.641 ' HA ' HD21 ' A' ' 24' ' ' LEU . . . 45.64 36.66 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.61 ' O ' HG13 ' B' ' 8' ' ' VAL . 13.2 p -77.76 57.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.065 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.873 ' O ' HG22 ' B' ' 10' ' ' ILE . 35.6 m-20 75.67 -9.1 1.48 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.926 -178.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.873 HG22 ' O ' ' B' ' 9' ' ' ASP . 4.6 tp 67.93 -41.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 124.133 0.896 . . . . 0.0 112.134 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.73 -30.75 70.42 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.637 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 9' ' ' ASP . 52.4 m-20 -60.71 -51.91 67.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.505 0.193 . . . . 0.0 111.386 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.833 HH11 ' HB2' ' A' ' 20' ' ' ALA . 99.3 mtt180 -66.27 -36.29 82.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.656 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.896 HD11 HG13 ' A' ' 33' ' ' VAL . 18.9 mt -64.02 -46.51 84.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.651 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -63.88 -47.15 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 12' ' ' ASP . 50.5 mt-10 -62.21 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.509 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.925 HD11 ' HG ' ' A' ' 14' ' ' LEU . 20.1 tp -54.04 -43.56 70.3 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 26.5 tt0 -64.79 -49.69 69.71 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.04 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' B' ' 22' ' ' GLU . 4.8 mptp? -52.34 -38.85 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.844 ' HB2' HH11 ' A' ' 13' ' ' ARG . . . -66.94 -51.22 57.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.275 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.674 HD23 HD11 ' A' ' 10' ' ' ILE . 1.1 mt -53.16 -39.07 63.3 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.14 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 18' ' ' GLU . 57.3 mt-10 -47.73 -37.32 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.244 0.545 . . . . 0.0 109.659 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' B' ' 27' ' ' GLU . . . -73.96 -44.35 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.707 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.645 ' HB3' ' CD2' ' B' ' 30' ' ' HIS . 3.8 mp -91.68 13.29 18.48 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.802 ' HB2' ' HD3' ' A' ' 47' ' ' ARG . 87.5 p -49.73 81.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.051 0.453 . . . . 0.0 111.777 -178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' B' ' 24' ' ' LEU . . . 50.05 37.76 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.276 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 23' ' ' ALA . 5.3 mm-40 -72.13 -34.68 68.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.85 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -150.6 54.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 31' ' ' ASP . . . 57.56 50.17 67.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.058 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.645 ' CD2' ' HB3' ' B' ' 24' ' ' LEU . 74.7 m-70 -74.99 37.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 29' ' ' GLY . 8.5 t70 -49.56 -31.54 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 41.5 p-10 -56.63 -35.46 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.358 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.912 HG22 HG21 ' A' ' 10' ' ' ILE . 9.6 t -65.13 -33.48 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 0.0 110.229 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' B' ' 38' ' ' GLU . . . -70.27 -42.81 65.14 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 113.216 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 32' ' ' ASP . 3.1 pt20 -62.28 -43.2 99.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.887 0.344 . . . . 0.0 110.771 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.635 ' O ' ' HG ' ' B' ' 40' ' ' LEU . 78.5 mtt-85 -71.68 -46.38 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.517 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -56.73 -42.68 79.67 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.532 ' CA ' HD11 ' A' ' 41' ' ' LEU . 4.6 tt0 -67.62 -42.33 82.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.896 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 43' ' ' ARG . 47.1 t -57.8 -36.06 71.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.934 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 14' ' ' LEU . 78.4 mt -54.12 -49.77 68.42 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.386 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.703 ' HA ' ' HB3' ' B' ' 44' ' ' TRP . 20.6 mt -74.37 -46.25 41.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.194 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -51.04 -33.88 27.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.599 -0.44 . . . . 0.0 109.972 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.618 ' HB3' ' NH1' ' B' ' 47' ' ' ARG . 37.3 mmt180 -88.36 -37.83 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.925 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' TRP . . . . . 0.703 ' HB3' ' HA ' ' B' ' 41' ' ' LEU . 16.3 t-105 -60.78 -61.38 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.607 HD21 HD22 ' B' ' 41' ' ' LEU . 74.2 m-80 -61.06 -42.3 98.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.423 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.8 t -53.95 -47.51 71.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.782 0.325 . . . . 0.0 110.626 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.618 ' NH1' ' HB3' ' B' ' 43' ' ' ARG . 53.3 mtt85 -60.76 -36.92 80.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.644 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' B' ' 45' ' ' ASN . 77.5 mtp180 -56.85 -47.44 80.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.033 0.444 . . . . 0.0 110.377 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.57 94.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.837 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -77.63 45.46 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.193 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.77 134.03 0.84 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.65 -45.88 7.98 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.616 2.211 . . . . 0.0 112.362 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -62.04 134.98 57.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -163.4 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -165.41 132.56 2.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.27 137.01 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.532 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.08 -44.73 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -173.92 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.84 135.29 57.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.769 179.988 . . . . . . . . 0 0 . 1 stop_ save_