data_6tph_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tph _Structure_validation_residue.Date_analyzed 2020-02-07 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 ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.29 3.087 0 CA-C-O 118.356 -0.768 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' GLY . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' GLU . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.491 -1.669 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 CA--C 1.558 1.686 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.575 2.552 0 CA-C-O 122.662 1.026 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' H ' HD21 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.436 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 CA--C 1.578 2.707 0 N-CA-C 115.738 1.399 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.546 1.094 0 CA-C-O 121.833 0.681 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 80' ' ' TYR . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 8' ' ' VAL . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.565 2.061 0 CA-C-O 124.225 1.677 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' OE1' ' HE2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HE2' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' A' ' 68' ' ' PRO . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.428 -2.328 0 N-CA-C 110.305 -0.69 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.729 ' H ' HD13 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.444 -1.403 0 CA-C-O 125.302 2.126 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 76' ' ' ILE . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 115.91 -1.995 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.42 -177.99 4.15 Favored 'Trans proline' 0 C--O 1.29 3.087 0 C-N-CA 122.747 2.298 . . . . 0.0 110.191 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' GLY . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' GLU . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.374 -4.139 2 C5'-C4'-O4' 117.004 5.574 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.928 2 O4'-C1'-N19 114.046 5.846 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.465 -6.259 1 C3'-C2'-C1' 105.173 4.081 . 0.563 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.368 -4.482 5 O4'-C1'-N19 116.076 7.876 . 0.106 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.592 6.383 4 P-O3'-C3' 126.723 5.852 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.361 -7.675 5 C3'-C2'-C1' 108.792 8.102 . 0.223 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 7.219 3 O4'-C1'-N19 116.04 7.84 . 0.593 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.583 5.266 2 O4'-C1'-N19 116.173 7.973 . 0.057 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.491 ' H1 ' ' N2 ' ' B' ' 14' ' ' ' G' . . . . . . . . 1 P--O3' 1.531 -6.343 2 O5'-C5'-C4' 118.234 5.738 . 0.231 &a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.49 6.351 6 C3'-C2'-C1' 108.671 7.968 . 0.488 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.4 HO2' " H5'" ' B' ' 13' ' ' ' A' . . . . . . . . 3 C2'--C1' 1.462 -6.596 0 O4'-C1'-N19 105.246 -2.954 . 0.293 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . 0.4 " H5'" HO2' ' B' ' 12' ' ' ' A' . . . . . . . . 1 O5'--C5' 1.355 -5.323 1 O5'-C5'-C4' 118.538 5.956 . 0.551 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . 0.491 ' N2 ' ' H1 ' ' B' ' 10' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.569 3.959 2 C4'-C3'-C2' 98.25 -4.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.773 5 C4'-C3'-C2' 95.44 -7.26 . 0.418 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.598 6.789 1 C3'-C2'-C1' 97.45 -4.5 . 0.531 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.594 6.494 2 O5'-C5'-C4' 119.646 6.747 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.576 4.612 1 O3'-P-O5' 95.593 -4.425 . 0.459 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.537 -5.598 2 O5'-C5'-C4' 102.833 -5.262 OUTLIER-DELTA 0.105 7r . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.512 -7.897 2 C5'-C4'-C3' 108.55 -4.633 . 0.027 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.622 1 P-O3'-C3' 125.267 4.64 . 0.25 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 23' ' ' ' U' . . . . . . . . 3 C2'--O2' 1.491 6.011 0 C4'-C3'-C2' 99.599 -3.101 . 0.319 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 22' ' ' ' A' . . . . . . . . 4 P--O3' 1.527 -6.654 2 O4'-C1'-N19 119.254 11.054 . 0.44 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.341 -6.068 0 C5'-C4'-O4' 103.695 -3.932 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt . . . . . 0 N--CA 1.505 2.285 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.5 169.99 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' CD ' HO2' ' B' ' 4' ' ' ' G' . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.406 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.579 5.321 3 O5'-C5'-C4' 122.243 8.602 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.144 5 O4'-C1'-N19 113.375 5.175 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.516 HO2' ' CD ' ' A' ' 39' ' ' GLU . . . . . . . . 1 O4'--C4' 1.394 -4.949 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.487 5.662 3 C5'-C4'-C3' 106.403 -6.065 . 0.037 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.063 3 C5'-C4'-O4' 116.534 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.461 3.884 3 O4'-C1'-N19 114.926 6.726 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.552 -4.128 2 C4'-C3'-C2' 97.653 -5.047 . 0.463 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.56 3.143 2 P-O3'-C3' 126.105 5.338 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.534 " H3'" ' C8 ' ' B' ' 11' ' ' ' A' . . . . . . . . 1 C2'--O2' 1.5 6.673 3 O4'-C1'-N19 115.059 6.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . 0.534 ' C8 ' " H3'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.37 -3.782 1 O4'-C1'-N19 103.817 -4.383 . 0.089 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.518 1 C5'-C4'-O4' 117.641 6.03 . 0.046 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.58 5.351 4 C3'-C2'-C1' 107.412 6.569 . 0.352 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . 0.435 HO2' " H5'" ' B' ' 15' ' ' ' A' . . . . . . . . 2 C3'--C2' 1.475 -4.549 1 P-O3'-C3' 125.05 4.458 . 0.372 2a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . 0.435 " H5'" HO2' ' B' ' 14' ' ' ' G' . . . . . . . . 1 P--O5' 1.637 4.377 0 C1'-C2'-O2' 100.884 -3.239 . 0.889 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.297 3 O4'-C1'-N19 114.096 5.896 . 0.692 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--OP2 1.564 4.62 2 O4'-C1'-N19 112.86 4.66 . 0.663 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 2 O4'-C1'-N19 113.555 5.355 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.521 8.341 5 O4'-C1'-N19 114.454 6.254 . 0.214 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.401 -4.302 0 C4'-C3'-C2' 99.364 -3.336 . 0.48 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.436 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 1 P--O3' 1.55 -4.776 2 P-O3'-C3' 130.02 8.6 . 0.356 2[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.525 -6.831 1 C1'-O4'-C4' 113.649 4.499 . 0.702 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.333 1 P-O5'-C5' 113.949 -4.344 . 0.25 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.514 -7.913 0 C5'-C4'-O4' 114.279 3.628 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 125.501 2.572 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -65.41 170.05 11.53 Favored 'Trans proline' 0 N--CA 1.485 1.029 0 CA-C-N 112.507 -1.64 . . . . 0.0 114.224 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.468 4.214 3 C4'-C3'-C2' 96.254 -6.446 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.47 4.378 3 C3'-C2'-C1' 109.422 8.802 . 0.448 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.575 4.686 2 C5'-C4'-C3' 107.125 -5.583 . 0.697 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 5.686 1 C1'-O4'-C4' 105.235 -4.85 . 0.43 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.512 -8.085 5 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.036 5 N19-C1'-C2' 103.134 -6.416 . 0.405 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.343 -5.944 3 C5'-C4'-C3' 107.802 -5.132 . 0.618 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . 0.437 ' C5 ' H5'' ' B' ' 11' ' ' ' A' . . . . . . . . 3 O4'--C4' 1.381 -5.977 1 O4'-C1'-N19 113.841 5.641 . 0.694 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.603 7.136 2 C5'-C4'-O4' 118.756 6.825 . 0.035 5d . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . 0.437 H5'' ' C5 ' ' B' ' 9' ' ' ' C' . . . . . . . . 0 P--O3' 1.642 2.906 3 C5'-C4'-C3' 108.63 -4.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C2'--O2' 1.474 4.685 1 O4'-C1'-N19 113.449 5.249 . 0.568 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.526 -6.724 2 O4'-C1'-N19 114.934 6.734 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.317 -7.673 0 N19-C1'-C2' 108.088 -3.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.932 1 OP1-P-OP2 113.012 -4.392 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.489 5.842 4 C1'-O4'-C4' 104.131 -6.076 . 0.585 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.555 2.832 1 O4'-C1'-N19 104.18 -4.02 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -6.959 4 C1'-O4'-C4' 102.035 -8.405 . 0.257 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.369 -4.416 1 O4'-C1'-N19 113.363 5.163 . 0.118 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.375 -6.519 3 C5'-C4'-O4' 118.668 6.763 . 0.01 6j . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.658 6.532 2 C1'-O4'-C4' 115.049 6.055 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.706 11.316 3 O5'-C5'-C4' 120.326 7.233 . 0.131 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.359 4 C1'-O4'-C4' 114.912 5.902 . 0.541 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.338 1 O5'-C5'-C4' 120.602 7.43 . 0.426 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 tttt . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -80.41 167.88 18.82 Favored 'Trans proline' 0 C--N 1.382 2.333 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 -168.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.597 6.914 0 O4'-C4'-C3' 110.66 3.686 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.55 1 O4'-C4'-C3' 112.367 4.905 . 0.435 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.662 4.609 3 P-O3'-C3' 130.981 9.4 . 0.348 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.588 6.045 1 O4'-C1'-N19 117.196 8.996 . 0.061 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.459 -5.872 2 N19-C1'-C2' 105.424 -4.985 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.4 -4.396 1 C3'-C2'-C1' 97.28 -4.689 . 0.263 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.388 -5.391 2 O4'-C1'-N19 115.199 6.999 . 0.237 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.419 3 C3'-C2'-C1' 106.827 5.918 . 0.592 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.578 5.245 4 C4'-C3'-C2' 95.458 -7.242 . 0.356 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.371 -4.31 1 O4'-C1'-N19 115.715 7.515 . 0.568 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.383 -5.842 2 O3'-P-O5' 95.275 -4.592 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.422 0 C3'-C2'-C1' 99.09 -2.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.363 -4.841 2 C3'-C2'-C1' 106.997 6.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.475 2 O5'-C5'-C4' 122.35 8.678 . 0.029 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.641 2 C4'-C3'-C2' 94.808 -7.892 . 0.638 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.349 -5.287 2 N19-C1'-C2' 103.639 -6.101 . 0.473 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.335 -6.558 2 C5'-C4'-O4' 118.596 6.711 . 0.268 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 5.81 2 C1'-O4'-C4' 115.14 6.155 . 0.201 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.622 8.58 3 C1'-O4'-C4' 103.017 -7.315 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.571 4.348 3 C3'-C2'-C1' 94.691 -7.566 . 0.182 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.516 -7.545 1 O5'-C5'-C4' 103.76 -4.6 . 0.108 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.596 6.541 1 C5'-C4'-O4' 117.744 6.103 . 0.687 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.464 6 C1'-O4'-C4' 118.678 10.087 . 0.226 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.25 44.9 tttm . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -65.8 166.15 21.19 Favored 'Trans proline' 0 CA--C 1.575 2.552 0 C-N-CA 123.421 2.747 . . . . 0.0 112.374 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.678 HD21 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' H ' HD21 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.436 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.576 4.797 1 C1'-O4'-C4' 113.668 4.52 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.547 -4.552 0 C1'-O4'-C4' 106.383 -3.574 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.308 2 C5'-C4'-C3' 105.496 -6.669 . 0.535 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.545 -5.201 4 O4'-C1'-N19 118.796 10.596 . 0.057 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.592 6.434 2 C5'-C4'-O4' 116.908 5.505 . 0.052 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.577 2 C5'-C4'-O4' 118.998 6.998 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.387 -5.514 1 O5'-C5'-C4' 118.881 6.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.556 3 C1'-O4'-C4' 104.798 -5.336 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.569 4.125 1 C4'-C3'-C2' 96.055 -6.645 . 0.497 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.524 -6.925 5 O4'-C1'-C2' 96.791 -6.863 . 0.201 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.656 1 O4'-C1'-N19 116.235 8.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.483 4.28 2 C5'-C4'-O4' 117.54 5.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.603 7.183 3 C4'-C3'-C2' 96.023 -6.677 . 0.729 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.483 5.42 0 C3'-C2'-C1' 98.463 -3.374 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.399 1 C1'-O4'-C4' 113.753 4.615 . 0.476 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.513 7.672 2 O5'-C5'-C4' 120.206 7.147 . 0.386 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.519 4.932 1 C2'-C3'-O3' 122.936 4.263 . 0.192 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.849 1 O4'-C1'-N19 112.922 4.722 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.413 2 C5'-C4'-C3' 106.149 -6.234 . 0.314 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.35 -5.615 0 C5'-C4'-O4' 114.783 3.988 . 0.463 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.529 -6.401 2 C4'-C3'-C2' 107.008 4.308 . 0.389 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.587 5.858 2 O4'-C1'-N19 116.011 7.811 . 0.336 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.352 -5.15 2 C3'-C2'-C1' 106.548 5.609 . 0.398 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 tttt . . . . . 0 C--O 1.252 1.203 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -98.92 164.54 0.61 Allowed 'Trans proline' 0 CA--C 1.578 2.707 1 C-N-CA 126.246 4.631 . . . . 0.0 115.738 171.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.068 1 C5'-C4'-O4' 117.339 5.814 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 6.85 1 C5'-C4'-O4' 116.093 4.924 . 0.795 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.471 4.768 5 C3'-C2'-C1' 111.253 10.837 . 0.693 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.613 8.029 2 O4'-C1'-N19 115.336 7.136 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 C4'-C3'-C2' 97.583 -5.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.496 -9.655 0 O4'-C1'-N19 111.26 3.06 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 6.3 3 C4'-C3'-C2' 95.281 -7.419 . 0.584 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.109 1 O4'-C1'-N19 112.676 4.476 . 0.639 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.557 1 C3'-C2'-C1' 97.895 -4.006 . 0.035 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.47 3.369 2 O4'-C1'-N19 115.795 7.595 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.53 -6.449 4 C3'-C2'-C1' 106.491 5.546 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.43 -6.123 2 O4'-C1'-N19 113.403 5.203 . 0.44 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.489 6.213 1 C5'-C4'-O4' 115.606 4.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.59 5.914 1 C4'-C3'-C2' 94.988 -7.712 . 0.814 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.481 -4.717 3 O4'-C1'-N19 113.481 5.281 . 0.199 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.164 0 C5'-C4'-O4' 113.757 3.255 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.474 3.658 1 N19-C1'-C2' 105.377 -5.014 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.543 -4.993 0 O5'-C5'-C4' 104.62 -3.986 . 0.261 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.897 3 P-O3'-C3' 125.964 5.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.644 5.14 6 O4'-C1'-N19 99.679 -8.521 . 0.043 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.587 5.761 2 C4'-C3'-C2' 93.124 -9.576 . 0.313 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.59 6.248 6 O4'-C1'-N19 114.309 6.109 . 0.293 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.393 0 C5'-C4'-C3' 109.709 -3.86 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.308 79.9 tttt . . . . . 0 CA--C 1.447 -2.992 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.02 168.61 10.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 123.343 1.18 . . . . 0.0 113.025 -172.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 80' ' ' TYR . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.572 HH22 ' P ' ' B' ' 3' ' ' ' U' . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 8' ' ' VAL . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.48 5.177 3 O4'-C1'-N19 114.403 6.203 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.572 ' P ' HH22 ' A' ' 46' ' ' ARG . . . . . . . . 2 P--O5' 1.537 -5.605 4 C4'-C3'-C2' 95.909 -6.791 . 0.193 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.475 5.103 3 O4'-C1'-C2' 97.634 -6.261 . 0.474 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.466 4.293 3 O4'-C1'-N19 100.688 -7.512 . 0.221 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.56 3 C1'-O4'-C4' 117.918 9.242 . 0.717 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.587 5.763 3 C5'-C4'-C3' 104.683 -7.211 . 0.56 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.499 " H2'" ' C6 ' ' B' ' 9' ' ' ' C' . . . . . . . . 2 O4'--C1' 1.477 5.268 2 C4'-C3'-C2' 106.945 4.245 . 0.623 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 3 C2'--C1' 1.603 7.522 2 O4'-C1'-N19 116.127 7.927 . 0.755 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.529 -6.435 3 P-O5'-C5' 128.268 4.605 . 0.01 5p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.5 7.171 4 P-O3'-C3' 125.9 5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.528 -6.571 2 C3'-C2'-C1' 106.578 5.642 . 0.375 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 4.648 4 C3'-C2'-C1' 108.838 8.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.866 2 C5'-C4'-O4' 115.264 4.331 . 0.073 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.665 7.187 3 O4'-C1'-N19 114.516 6.316 . 0.695 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.54 -5.593 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 6.311 3 O4'-C1'-N19 117.045 8.845 . 0.845 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.531 -6.164 2 O4'-C1'-N19 117.487 9.287 . 0.47 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.175 2 C5'-C4'-O4' 119.085 7.061 . 0.138 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.609 7.769 1 C5'-C4'-C3' 107.009 -5.66 . 0.326 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.466 -5.343 5 C3'-C2'-C1' 106.649 5.721 . 0.281 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.528 -6.481 3 C3'-C2'-C1' 106.856 5.951 . 0.549 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.379 -6.203 0 C4'-C3'-C2' 98.857 -3.843 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.345 -5.237 3 O3'-P-O5' 116.286 6.467 . 0.307 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 C--O 1.245 0.824 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -74.58 -179.66 5.07 Favored 'Trans proline' 0 CA--C 1.565 2.061 0 CA-C-N 123.589 2.318 . . . . 0.0 114.224 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' OE1' ' HE2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HE2' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HB2' ' HD3' ' A' ' 69' ' ' PRO . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.424 ' HD3' ' HB2' ' A' ' 68' ' ' PRO . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.37 -4.356 1 O5'-C5'-C4' 117.005 4.861 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.38 -6.111 4 O4'-C1'-N19 117.522 9.322 . 0.849 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.517 -7.638 4 C3'-C2'-C1' 109.115 8.461 . 0.802 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -5.154 2 C5'-C4'-O4' 117.032 5.594 . 0.037 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.462 3.974 2 C5'-C4'-C3' 108.233 -4.845 . 0.019 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.371 -6.869 3 O4'-C1'-N19 119.037 10.837 . 0.155 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.453 HO2' " H5'" ' B' ' 9' ' ' ' C' . . . . . . . . 2 O4'--C4' 1.373 -6.632 5 C1'-O4'-C4' 100.453 -10.164 . 0.349 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . 0.453 " H5'" HO2' ' B' ' 8' ' ' ' U' . . . . . . . . 3 O4'--C1' 1.354 -5.018 3 O4'-C1'-N19 116.637 8.437 . 0.395 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.47 -5.035 4 C3'-C2'-C1' 106.591 5.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.485 3 O5'-C5'-C4' 121.789 8.278 . 0.038 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.574 4.96 2 P-O3'-C3' 126.179 5.399 . 0.048 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.352 -8.387 2 O4'-C1'-N19 114.576 6.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.595 6.488 4 C3'-C2'-C1' 107.317 6.463 . 0.023 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.461 3.685 2 P-O3'-C3' 126.954 6.045 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' C' . . . . . . . . 4 C5'--C4' 1.58 5.422 2 O4'-C1'-N19 121.514 13.314 . 0.368 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 16' ' ' ' G' . . . . . . . . 3 P--O3' 1.546 -5.058 5 C5'-C4'-C3' 107.789 -5.141 . 0.632 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.529 7.544 2 C4'-C3'-C2' 95.227 -7.473 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.593 6.2 3 C5'-C4'-C3' 107.101 -5.599 . 0.442 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.58 5.241 3 P-O3'-C3' 126.047 5.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.43 1 O4'-C1'-C2' 100.636 -4.117 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.625 9.107 4 C4'-C3'-C2' 96.375 -6.325 . 0.0 OUTLIER '7D dist #a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.392 -5.073 3 C3'-C2'-C1' 107.393 6.548 . 0.162 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.676 5.744 2 O4'-C1'-N19 113.803 5.603 . 0.406 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 29.2 tttm . . . . . 0 N--CA 1.506 2.349 0 CA-C-O 117.177 -1.392 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -87.63 162.97 7.9 Favored 'Trans proline' 0 N--CA 1.428 -2.328 0 CA-C-N 123.234 2.191 . . . . 0.0 110.305 -161.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HE2' ' N7 ' ' B' ' 19' ' ' ' A' . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.729 ' H ' HD13 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.596 6.759 2 O4'-C1'-N19 114.914 6.714 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 6.112 0 C4'-C3'-C2' 105.271 2.571 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.559 4 O4'-C4'-C3' 117.283 8.417 . 0.299 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.494 5.085 4 O3'-P-O5' 92.776 -5.907 . 0.18 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.534 -6.111 3 C3'-C2'-C1' 109.288 8.654 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.087 1 O4'-C1'-N19 112.771 4.571 . 0.111 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.449 0 O5'-C5'-C4' 105.118 -3.63 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.324 -6.813 1 P-O3'-C3' 125.064 4.47 . 0.231 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.693 7.156 4 C3'-C2'-C1' 107.987 7.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.528 -6.482 1 C5'-C4'-O4' 116.329 5.092 . 0.131 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.522 5.761 4 C3'-C2'-C1' 107.849 7.054 OUTLIER-DELTA 0.142 1g . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.59 5.969 4 C5'-C4'-C3' 107.941 -5.039 . 0.051 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.585 5.507 4 C3'-C2'-C1' 106.459 5.51 . 0.311 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.874 2 C5'-C4'-O4' 118.208 6.434 . 0.508 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.587 5.595 2 C4'-C3'-C2' 97.963 -4.737 . 0.385 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.347 -8.803 2 C3'-C2'-C1' 95.639 -6.512 . 0.345 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.48 5.167 3 C3'-C2'-C1' 93.776 -8.582 . 0.304 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . 0.496 ' N7 ' ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 P--OP2 1.401 -4.951 1 C5'-C4'-C3' 106.238 -6.175 . 0.397 7r . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.568 4.495 1 O4'-C1'-N19 114.508 6.308 . 0.352 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.672 5 C3'-C2'-C1' 107.235 6.373 . 0.147 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.321 2 C4'-C3'-C2' 98.168 -4.532 . 0.154 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.512 5 O4'-C1'-N19 116.705 8.505 . 0.27 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.57 4.212 0 C1'-O4'-C4' 113.177 3.974 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.279 2.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -68.07 159.69 51.97 Favored 'Trans proline' 0 C--N 1.39 2.716 1 C-N-CA 125.338 4.025 . . . . 0.0 109.336 176.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 76' ' ' ILE . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HA ' HO2' ' B' ' 19' ' ' ' A' . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.977 1 O4'-C1'-N19 117.486 9.286 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.05 2 C1'-O4'-C4' 104.63 -5.522 . 0.559 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.602 7.104 3 O4'-C1'-N19 115.967 7.767 . 0.682 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.484 5.437 1 O4'-C1'-N19 113.351 5.151 . 0.445 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.683 8.954 1 O4'-C1'-N19 113.768 5.568 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.573 4.475 0 O5'-C5'-C4' 114.528 3.091 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 5.184 3 C3'-C2'-C1' 108.425 7.694 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . 0.431 " H2'" H5'' ' B' ' 10' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.573 4.543 1 C3'-C2'-C1' 105.234 4.148 . 0.381 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.431 H5'' " H2'" ' B' ' 9' ' ' ' C' . . . . . . . . 4 P--O3' 1.708 8.451 6 C3'-C2'-C1' 113.345 13.161 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.412 2 C3'-C2'-C1' 108.365 7.628 . 0.067 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.36 -7.772 3 C3'-C2'-C1' 95.469 -6.701 . 0.039 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.53 1 O4'-C1'-N19 114.472 6.272 . 0.718 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.586 5.768 2 C4'-C3'-O3' 98.998 -4.462 . 0.456 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.353 -8.362 2 C4'-C3'-C2' 95.141 -7.559 . 0.63 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.537 -5.816 2 C5'-C4'-O4' 115.488 4.492 . 0.556 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.587 5.606 1 N19-C1'-C2' 106.917 -4.052 . 0.812 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.464 -5.483 4 C3'-C2'-C1' 108.583 7.87 . 0.545 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' A' . . . . . 0.437 HO2' ' HA ' ' A' ' 97' ' ' ALA . . . . . . . . 3 P--O3' 1.533 -6.16 2 C4'-C3'-C2' 96.099 -6.601 . 0.353 7r . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.491 6.447 3 C3'-C2'-C1' 95.374 -6.807 . 0.15 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 2 C1'-O4'-C4' 104.994 -5.118 . 0.162 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.576 4.701 2 C4'-C3'-O3' 121.728 4.28 . 0.494 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.605 7.326 6 C4'-C3'-C2' 94.058 -8.642 . 0.236 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.4 2 C3'-C2'-C1' 106.183 5.203 . 0.59 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.29 3.087 0 CA-C-O 118.356 -0.768 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 52' ' ' VAL . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG23 ' A' ' 40' ' ' THR . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 93' ' ' ILE . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.491 -1.669 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 93' ' ' ILE . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 124' ' ' LYS . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 119' ' ' VAL . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 115' ' ' ILE . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 CA--C 1.558 1.686 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' PRO . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 103' ' ' ILE . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 115' ' ' ILE . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 112' ' ' VAL 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.575 2.552 0 CA-C-O 122.662 1.026 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.684 HD23 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.684 ' H ' HD23 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 CA--C 1.578 2.707 0 N-CA-C 115.738 1.399 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 85' ' ' LYS . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.546 1.094 0 CA-C-O 121.833 0.681 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 54' ' ' ILE . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.565 2.061 0 CA-C-O 124.225 1.677 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' GLU . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' HA ' HG23 ' A' ' 58' ' ' VAL . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.428 -2.328 0 N-CA-C 110.305 -0.69 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.522 ' H ' HD12 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.416 ' C ' HD12 ' A' ' 103' ' ' ILE . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 102' ' ' ILE . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.444 -1.403 0 CA-C-O 125.302 2.126 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 115.91 -1.995 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.42 -177.99 4.15 Favored 'Trans proline' 0 C--O 1.29 3.087 0 C-N-CA 122.747 2.298 . . . . 0.0 110.191 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 52' ' ' VAL . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG23 ' A' ' 40' ' ' THR . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 93' ' ' ILE . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.419 HG21 ' N3 ' ' B' ' 19' ' ' ' A' . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.374 -4.139 2 C5'-C4'-O4' 117.004 5.574 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.928 2 O4'-C1'-N19 114.046 5.846 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.465 -6.259 1 C3'-C2'-C1' 105.173 4.081 . 0.563 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.368 -4.482 5 O4'-C1'-N19 116.076 7.876 . 0.106 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.592 6.383 4 P-O3'-C3' 126.723 5.852 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.361 -7.675 5 C3'-C2'-C1' 108.792 8.102 . 0.223 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 7.219 3 O4'-C1'-N19 116.04 7.84 . 0.593 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.583 5.266 2 O4'-C1'-N19 116.173 7.973 . 0.057 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.577 ' H1 ' ' N2 ' ' B' ' 14' ' ' ' G' . . . . . . . . 1 P--O3' 1.531 -6.343 2 O5'-C5'-C4' 118.234 5.738 . 0.231 &a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.49 6.351 6 C3'-C2'-C1' 108.671 7.968 . 0.488 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.462 -6.596 0 O4'-C1'-N19 105.246 -2.954 . 0.293 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.355 -5.323 1 O5'-C5'-C4' 118.538 5.956 . 0.551 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . 0.577 ' N2 ' ' H1 ' ' B' ' 10' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.569 3.959 2 C4'-C3'-C2' 98.25 -4.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.773 5 C4'-C3'-C2' 95.44 -7.26 . 0.418 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.598 6.789 1 C3'-C2'-C1' 97.45 -4.5 . 0.531 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.594 6.494 2 O5'-C5'-C4' 119.646 6.747 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.576 4.612 1 O3'-P-O5' 95.593 -4.425 . 0.459 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . 0.419 ' N3 ' HG21 ' A' ' 95' ' ' VAL . . . . . . . . 2 P--O5' 1.537 -5.598 2 O5'-C5'-C4' 102.833 -5.262 OUTLIER-DELTA 0.105 7r . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.512 -7.897 2 C5'-C4'-C3' 108.55 -4.633 . 0.027 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.622 1 P-O3'-C3' 125.267 4.64 . 0.25 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 23' ' ' ' U' . . . . . . . . 3 C2'--O2' 1.491 6.011 0 C4'-C3'-C2' 99.599 -3.101 . 0.319 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 22' ' ' ' A' . . . . . . . . 4 P--O3' 1.527 -6.654 2 O4'-C1'-N19 119.254 11.054 . 0.44 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.341 -6.068 0 C5'-C4'-O4' 103.695 -3.932 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt . . . . . 0 N--CA 1.505 2.285 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.5 169.99 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 93' ' ' ILE . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 124' ' ' LYS . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.579 5.321 3 O5'-C5'-C4' 122.243 8.602 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.144 5 O4'-C1'-N19 113.375 5.175 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.527 ' N2 ' " H1'" ' B' ' 21' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.394 -4.949 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.487 5.662 3 C5'-C4'-C3' 106.403 -6.065 . 0.037 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.063 3 C5'-C4'-O4' 116.534 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.461 3.884 3 O4'-C1'-N19 114.926 6.726 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.552 -4.128 2 C4'-C3'-C2' 97.653 -5.047 . 0.463 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.56 3.143 2 P-O3'-C3' 126.105 5.338 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.524 " H3'" ' C8 ' ' B' ' 11' ' ' ' A' . . . . . . . . 1 C2'--O2' 1.5 6.673 3 O4'-C1'-N19 115.059 6.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . 0.524 ' C8 ' " H3'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.37 -3.782 1 O4'-C1'-N19 103.817 -4.383 . 0.089 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.518 1 C5'-C4'-O4' 117.641 6.03 . 0.046 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.58 5.351 4 C3'-C2'-C1' 107.412 6.569 . 0.352 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.475 -4.549 1 P-O3'-C3' 125.05 4.458 . 0.372 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.377 0 C1'-C2'-O2' 100.884 -3.239 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.297 3 O4'-C1'-N19 114.096 5.896 . 0.692 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--OP2 1.564 4.62 2 O4'-C1'-N19 112.86 4.66 . 0.663 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 2 O4'-C1'-N19 113.555 5.355 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.521 8.341 5 O4'-C1'-N19 114.454 6.254 . 0.214 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.401 -4.302 0 C4'-C3'-C2' 99.364 -3.336 . 0.48 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.527 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 1 P--O3' 1.55 -4.776 2 P-O3'-C3' 130.02 8.6 . 0.356 2[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.525 -6.831 1 C1'-O4'-C4' 113.649 4.499 . 0.702 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.333 1 P-O5'-C5' 113.949 -4.344 . 0.25 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.514 -7.913 0 C5'-C4'-O4' 114.279 3.628 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 125.501 2.572 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -65.41 170.05 11.53 Favored 'Trans proline' 0 N--CA 1.485 1.029 0 CA-C-N 112.507 -1.64 . . . . 0.0 114.224 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 119' ' ' VAL . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 115' ' ' ILE . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.468 4.214 3 C4'-C3'-C2' 96.254 -6.446 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.47 4.378 3 C3'-C2'-C1' 109.422 8.802 . 0.448 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.575 4.686 2 C5'-C4'-C3' 107.125 -5.583 . 0.697 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 5.686 1 C1'-O4'-C4' 105.235 -4.85 . 0.43 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.512 -8.085 5 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.036 5 N19-C1'-C2' 103.134 -6.416 . 0.405 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.343 -5.944 3 C5'-C4'-C3' 107.802 -5.132 . 0.618 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.381 -5.977 1 O4'-C1'-N19 113.841 5.641 . 0.694 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.603 7.136 2 C5'-C4'-O4' 118.756 6.825 . 0.035 5d . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.906 3 C5'-C4'-C3' 108.63 -4.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C2'--O2' 1.474 4.685 1 O4'-C1'-N19 113.449 5.249 . 0.568 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.526 -6.724 2 O4'-C1'-N19 114.934 6.734 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.317 -7.673 0 N19-C1'-C2' 108.088 -3.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.932 1 OP1-P-OP2 113.012 -4.392 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.489 5.842 4 C1'-O4'-C4' 104.131 -6.076 . 0.585 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.555 2.832 1 O4'-C1'-N19 104.18 -4.02 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -6.959 4 C1'-O4'-C4' 102.035 -8.405 . 0.257 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.369 -4.416 1 O4'-C1'-N19 113.363 5.163 . 0.118 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.375 -6.519 3 C5'-C4'-O4' 118.668 6.763 . 0.01 6j . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.658 6.532 2 C1'-O4'-C4' 115.049 6.055 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.706 11.316 3 O5'-C5'-C4' 120.326 7.233 . 0.131 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.359 4 C1'-O4'-C4' 114.912 5.902 . 0.541 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.338 1 O5'-C5'-C4' 120.602 7.43 . 0.426 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 tttt . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -80.41 167.88 18.82 Favored 'Trans proline' 0 C--N 1.382 2.333 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 -168.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' PRO . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 103' ' ' ILE . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 115' ' ' ILE . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 112' ' ' VAL 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.597 6.914 0 O4'-C4'-C3' 110.66 3.686 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.55 1 O4'-C4'-C3' 112.367 4.905 . 0.435 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.662 4.609 3 P-O3'-C3' 130.981 9.4 . 0.348 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.588 6.045 1 O4'-C1'-N19 117.196 8.996 . 0.061 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.459 -5.872 2 N19-C1'-C2' 105.424 -4.985 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.4 -4.396 1 C3'-C2'-C1' 97.28 -4.689 . 0.263 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.388 -5.391 2 O4'-C1'-N19 115.199 6.999 . 0.237 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.419 3 C3'-C2'-C1' 106.827 5.918 . 0.592 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.578 5.245 4 C4'-C3'-C2' 95.458 -7.242 . 0.356 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.371 -4.31 1 O4'-C1'-N19 115.715 7.515 . 0.568 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.383 -5.842 2 O3'-P-O5' 95.275 -4.592 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.422 0 C3'-C2'-C1' 99.09 -2.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.363 -4.841 2 C3'-C2'-C1' 106.997 6.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.475 2 O5'-C5'-C4' 122.35 8.678 . 0.029 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.641 2 C4'-C3'-C2' 94.808 -7.892 . 0.638 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.349 -5.287 2 N19-C1'-C2' 103.639 -6.101 . 0.473 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.335 -6.558 2 C5'-C4'-O4' 118.596 6.711 . 0.268 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 5.81 2 C1'-O4'-C4' 115.14 6.155 . 0.201 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.622 8.58 3 C1'-O4'-C4' 103.017 -7.315 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.571 4.348 3 C3'-C2'-C1' 94.691 -7.566 . 0.182 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.516 -7.545 1 O5'-C5'-C4' 103.76 -4.6 . 0.108 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.596 6.541 1 C5'-C4'-O4' 117.744 6.103 . 0.687 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.464 6 C1'-O4'-C4' 118.678 10.087 . 0.226 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.25 44.9 tttm . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -65.8 166.15 21.19 Favored 'Trans proline' 0 CA--C 1.575 2.552 0 C-N-CA 123.421 2.747 . . . . 0.0 112.374 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 HH22 ' P ' ' B' ' 3' ' ' ' U' . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.684 HD23 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.684 ' H ' HD23 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.576 4.797 1 C1'-O4'-C4' 113.668 4.52 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.466 ' P ' HH22 ' A' ' 46' ' ' ARG . . . . . . . . 1 P--O5' 1.547 -4.552 0 C1'-O4'-C4' 106.383 -3.574 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.308 2 C5'-C4'-C3' 105.496 -6.669 . 0.535 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.545 -5.201 4 O4'-C1'-N19 118.796 10.596 . 0.057 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.592 6.434 2 C5'-C4'-O4' 116.908 5.505 . 0.052 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.577 2 C5'-C4'-O4' 118.998 6.998 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.387 -5.514 1 O5'-C5'-C4' 118.881 6.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.556 3 C1'-O4'-C4' 104.798 -5.336 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.569 4.125 1 C4'-C3'-C2' 96.055 -6.645 . 0.497 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.524 -6.925 5 O4'-C1'-C2' 96.791 -6.863 . 0.201 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.656 1 O4'-C1'-N19 116.235 8.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . 0.454 " H2'" " O4'" ' B' ' 14' ' ' ' G' . . . . . . . . 2 O3'--C3' 1.483 4.28 2 C5'-C4'-O4' 117.54 5.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . 0.454 " O4'" " H2'" ' B' ' 13' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.603 7.183 3 C4'-C3'-C2' 96.023 -6.677 . 0.729 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.483 5.42 0 C3'-C2'-C1' 98.463 -3.374 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.399 1 C1'-O4'-C4' 113.753 4.615 . 0.476 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.513 7.672 2 O5'-C5'-C4' 120.206 7.147 . 0.386 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.519 4.932 1 C2'-C3'-O3' 122.936 4.263 . 0.192 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.849 1 O4'-C1'-N19 112.922 4.722 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.413 2 C5'-C4'-C3' 106.149 -6.234 . 0.314 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.35 -5.615 0 C5'-C4'-O4' 114.783 3.988 . 0.463 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.529 -6.401 2 C4'-C3'-C2' 107.008 4.308 . 0.389 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.587 5.858 2 O4'-C1'-N19 116.011 7.811 . 0.336 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.352 -5.15 2 C3'-C2'-C1' 106.548 5.609 . 0.398 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 tttt . . . . . 0 C--O 1.252 1.203 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -98.92 164.54 0.61 Allowed 'Trans proline' 0 CA--C 1.578 2.707 1 C-N-CA 126.246 4.631 . . . . 0.0 115.738 171.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 85' ' ' LYS . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.068 1 C5'-C4'-O4' 117.339 5.814 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 6.85 1 C5'-C4'-O4' 116.093 4.924 . 0.795 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.471 4.768 5 C3'-C2'-C1' 111.253 10.837 . 0.693 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.613 8.029 2 O4'-C1'-N19 115.336 7.136 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 C4'-C3'-C2' 97.583 -5.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.496 -9.655 0 O4'-C1'-N19 111.26 3.06 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 6.3 3 C4'-C3'-C2' 95.281 -7.419 . 0.584 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.109 1 O4'-C1'-N19 112.676 4.476 . 0.639 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.557 1 C3'-C2'-C1' 97.895 -4.006 . 0.035 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.47 3.369 2 O4'-C1'-N19 115.795 7.595 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.53 -6.449 4 C3'-C2'-C1' 106.491 5.546 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.43 -6.123 2 O4'-C1'-N19 113.403 5.203 . 0.44 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.489 6.213 1 C5'-C4'-O4' 115.606 4.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.59 5.914 1 C4'-C3'-C2' 94.988 -7.712 . 0.814 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.481 -4.717 3 O4'-C1'-N19 113.481 5.281 . 0.199 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.164 0 C5'-C4'-O4' 113.757 3.255 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.474 3.658 1 N19-C1'-C2' 105.377 -5.014 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.543 -4.993 0 O5'-C5'-C4' 104.62 -3.986 . 0.261 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.897 3 P-O3'-C3' 125.964 5.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.644 5.14 6 O4'-C1'-N19 99.679 -8.521 . 0.043 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.587 5.761 2 C4'-C3'-C2' 93.124 -9.576 . 0.313 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.59 6.248 6 O4'-C1'-N19 114.309 6.109 . 0.293 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.393 0 C5'-C4'-C3' 109.709 -3.86 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.308 79.9 tttt . . . . . 0 CA--C 1.447 -2.992 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.02 168.61 10.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 123.343 1.18 . . . . 0.0 113.025 -172.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.64 HH22 ' P ' ' B' ' 3' ' ' ' U' . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 54' ' ' ILE . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.48 5.177 3 O4'-C1'-N19 114.403 6.203 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.64 ' P ' HH22 ' A' ' 46' ' ' ARG . . . . . . . . 2 P--O5' 1.537 -5.605 4 C4'-C3'-C2' 95.909 -6.791 . 0.193 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.475 5.103 3 O4'-C1'-C2' 97.634 -6.261 . 0.474 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.466 4.293 3 O4'-C1'-N19 100.688 -7.512 . 0.221 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.56 3 C1'-O4'-C4' 117.918 9.242 . 0.717 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.587 5.763 3 C5'-C4'-C3' 104.683 -7.211 . 0.56 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 9' ' ' ' C' . . . . . . . . 2 O4'--C1' 1.477 5.268 2 C4'-C3'-C2' 106.945 4.245 . 0.623 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 3 C2'--C1' 1.603 7.522 2 O4'-C1'-N19 116.127 7.927 . 0.755 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.529 -6.435 3 P-O5'-C5' 128.268 4.605 . 0.01 5p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.5 7.171 4 P-O3'-C3' 125.9 5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.528 -6.571 2 C3'-C2'-C1' 106.578 5.642 . 0.375 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 4.648 4 C3'-C2'-C1' 108.838 8.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.866 2 C5'-C4'-O4' 115.264 4.331 . 0.073 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.665 7.187 3 O4'-C1'-N19 114.516 6.316 . 0.695 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.54 -5.593 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 6.311 3 O4'-C1'-N19 117.045 8.845 . 0.845 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.531 -6.164 2 O4'-C1'-N19 117.487 9.287 . 0.47 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.175 2 C5'-C4'-O4' 119.085 7.061 . 0.138 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.609 7.769 1 C5'-C4'-C3' 107.009 -5.66 . 0.326 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.466 -5.343 5 C3'-C2'-C1' 106.649 5.721 . 0.281 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.528 -6.481 3 C3'-C2'-C1' 106.856 5.951 . 0.549 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.379 -6.203 0 C4'-C3'-C2' 98.857 -3.843 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.345 -5.237 3 O3'-P-O5' 116.286 6.467 . 0.307 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 C--O 1.245 0.824 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -74.58 -179.66 5.07 Favored 'Trans proline' 0 CA--C 1.565 2.061 0 CA-C-N 123.589 2.318 . . . . 0.0 114.224 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' GLU . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' HA ' HG23 ' A' ' 58' ' ' VAL . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.37 -4.356 1 O5'-C5'-C4' 117.005 4.861 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.38 -6.111 4 O4'-C1'-N19 117.522 9.322 . 0.849 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.517 -7.638 4 C3'-C2'-C1' 109.115 8.461 . 0.802 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -5.154 2 C5'-C4'-O4' 117.032 5.594 . 0.037 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.462 3.974 2 C5'-C4'-C3' 108.233 -4.845 . 0.019 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.371 -6.869 3 O4'-C1'-N19 119.037 10.837 . 0.155 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.373 -6.632 5 C1'-O4'-C4' 100.453 -10.164 . 0.349 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.354 -5.018 3 O4'-C1'-N19 116.637 8.437 . 0.395 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.47 -5.035 4 C3'-C2'-C1' 106.591 5.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.485 3 O5'-C5'-C4' 121.789 8.278 . 0.038 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.574 4.96 2 P-O3'-C3' 126.179 5.399 . 0.048 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.352 -8.387 2 O4'-C1'-N19 114.576 6.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.595 6.488 4 C3'-C2'-C1' 107.317 6.463 . 0.023 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.461 3.685 2 P-O3'-C3' 126.954 6.045 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' C' . . . . . . . . 4 C5'--C4' 1.58 5.422 2 O4'-C1'-N19 121.514 13.314 . 0.368 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 16' ' ' ' G' . . . . . . . . 3 P--O3' 1.546 -5.058 5 C5'-C4'-C3' 107.789 -5.141 . 0.632 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.529 7.544 2 C4'-C3'-C2' 95.227 -7.473 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.593 6.2 3 C5'-C4'-C3' 107.101 -5.599 . 0.442 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.58 5.241 3 P-O3'-C3' 126.047 5.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.43 1 O4'-C1'-C2' 100.636 -4.117 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.625 9.107 4 C4'-C3'-C2' 96.375 -6.325 . 0.0 OUTLIER '7D dist #a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.392 -5.073 3 C3'-C2'-C1' 107.393 6.548 . 0.162 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.676 5.744 2 O4'-C1'-N19 113.803 5.603 . 0.406 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 29.2 tttm . . . . . 0 N--CA 1.506 2.349 0 CA-C-O 117.177 -1.392 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -87.63 162.97 7.9 Favored 'Trans proline' 0 N--CA 1.428 -2.328 0 CA-C-N 123.234 2.191 . . . . 0.0 110.305 -161.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HE2' ' N7 ' ' B' ' 19' ' ' ' A' . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' H ' HD12 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.416 ' C ' HD12 ' A' ' 103' ' ' ILE . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 102' ' ' ILE . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.596 6.759 2 O4'-C1'-N19 114.914 6.714 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 6.112 0 C4'-C3'-C2' 105.271 2.571 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.559 4 O4'-C4'-C3' 117.283 8.417 . 0.299 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.418 HO2' ' H8 ' ' B' ' 6' ' ' ' G' . . . . . . . . 1 O3'--C3' 1.494 5.085 4 O3'-P-O5' 92.776 -5.907 . 0.18 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . 0.418 ' H8 ' HO2' ' B' ' 5' ' ' ' A' . . . . . . . . 2 P--O3' 1.534 -6.111 3 C3'-C2'-C1' 109.288 8.654 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.087 1 O4'-C1'-N19 112.771 4.571 . 0.111 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.449 0 O5'-C5'-C4' 105.118 -3.63 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.324 -6.813 1 P-O3'-C3' 125.064 4.47 . 0.231 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.693 7.156 4 C3'-C2'-C1' 107.987 7.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.528 -6.482 1 C5'-C4'-O4' 116.329 5.092 . 0.131 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.522 5.761 4 C3'-C2'-C1' 107.849 7.054 OUTLIER-DELTA 0.142 1g . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.59 5.969 4 C5'-C4'-C3' 107.941 -5.039 . 0.051 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.585 5.507 4 C3'-C2'-C1' 106.459 5.51 . 0.311 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.874 2 C5'-C4'-O4' 118.208 6.434 . 0.508 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.587 5.595 2 C4'-C3'-C2' 97.963 -4.737 . 0.385 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.347 -8.803 2 C3'-C2'-C1' 95.639 -6.512 . 0.345 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.48 5.167 3 C3'-C2'-C1' 93.776 -8.582 . 0.304 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . 0.464 ' N7 ' ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 P--OP2 1.401 -4.951 1 C5'-C4'-C3' 106.238 -6.175 . 0.397 7r . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.568 4.495 1 O4'-C1'-N19 114.508 6.308 . 0.352 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.672 5 C3'-C2'-C1' 107.235 6.373 . 0.147 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.321 2 C4'-C3'-C2' 98.168 -4.532 . 0.154 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.512 5 O4'-C1'-N19 116.705 8.505 . 0.27 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.57 4.212 0 C1'-O4'-C4' 113.177 3.974 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 78.0 tttt . . . . . 0 C--O 1.279 2.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 7.3 Cg_exo -68.07 159.69 51.97 Favored 'Trans proline' 0 C--N 1.39 2.716 1 C-N-CA 125.338 4.025 . . . . 0.0 109.336 176.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.977 1 O4'-C1'-N19 117.486 9.286 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.05 2 C1'-O4'-C4' 104.63 -5.522 . 0.559 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.602 7.104 3 O4'-C1'-N19 115.967 7.767 . 0.682 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.484 5.437 1 O4'-C1'-N19 113.351 5.151 . 0.445 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.683 8.954 1 O4'-C1'-N19 113.768 5.568 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.573 4.475 0 O5'-C5'-C4' 114.528 3.091 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 5.184 3 C3'-C2'-C1' 108.425 7.694 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.464 " H2'" H5'' ' B' ' 10' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.573 4.543 1 C3'-C2'-C1' 105.234 4.148 . 0.381 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.464 H5'' " H2'" ' B' ' 9' ' ' ' C' . . . . . . . . 4 P--O3' 1.708 8.451 6 C3'-C2'-C1' 113.345 13.161 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.412 2 C3'-C2'-C1' 108.365 7.628 . 0.067 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.36 -7.772 3 C3'-C2'-C1' 95.469 -6.701 . 0.039 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.53 1 O4'-C1'-N19 114.472 6.272 . 0.718 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.586 5.768 2 C4'-C3'-O3' 98.998 -4.462 . 0.456 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.353 -8.362 2 C4'-C3'-C2' 95.141 -7.559 . 0.63 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.537 -5.816 2 C5'-C4'-O4' 115.488 4.492 . 0.556 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.587 5.606 1 N19-C1'-C2' 106.917 -4.052 . 0.812 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.464 -5.483 4 C3'-C2'-C1' 108.583 7.87 . 0.545 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.533 -6.16 2 C4'-C3'-C2' 96.099 -6.601 . 0.353 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.491 6.447 3 C3'-C2'-C1' 95.374 -6.807 . 0.15 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 2 C1'-O4'-C4' 104.994 -5.118 . 0.162 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.576 4.701 2 C4'-C3'-O3' 121.728 4.28 . 0.494 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.605 7.326 6 C4'-C3'-C2' 94.058 -8.642 . 0.236 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.4 2 C3'-C2'-C1' 106.183 5.203 . 0.59 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.29 3.087 0 CA-C-O 118.356 -0.768 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 52' ' ' VAL . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG23 ' A' ' 40' ' ' THR . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 93' ' ' ILE . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.491 -1.669 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 93' ' ' ILE . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 124' ' ' LYS . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo . . . . . 0 N--CA 1.485 1.029 0 N-CA-C 114.224 0.817 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 119' ' ' VAL . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 115' ' ' ILE . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 CA--C 1.558 1.686 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' PRO . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 103' ' ' ILE . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 115' ' ' ILE . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 112' ' ' VAL 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.575 2.552 0 CA-C-O 122.662 1.026 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.684 HD23 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.684 ' H ' HD23 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 CA--C 1.578 2.707 0 N-CA-C 115.738 1.399 . . . . 0.0 115.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 85' ' ' LYS . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.546 1.094 0 CA-C-O 121.833 0.681 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 54' ' ' ILE . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.565 2.061 0 CA-C-O 124.225 1.677 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' NE2' HD13 ' A' ' 76' ' ' ILE . 41.0 tp60 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' GLU . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' HA ' HG23 ' A' ' 58' ' ' VAL . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD13 ' NE2' ' A' ' 48' ' ' GLN . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.428 -2.328 0 N-CA-C 110.305 -0.69 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.522 ' H ' HD12 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.416 ' C ' HD12 ' A' ' 103' ' ' ILE . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 102' ' ' ILE . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.444 -1.403 0 CA-C-O 125.302 2.126 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 115.91 -1.995 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.42 -177.99 4.15 Favored 'Trans proline' 0 C--O 1.29 3.087 0 C-N-CA 122.747 2.298 . . . . 0.0 110.191 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m -76.71 -18.66 58.38 Favored 'General case' 0 N--CA 1.419 -2.011 0 C-N-CA 126.215 1.806 . . . . 0.0 115.661 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -107.69 9.18 29.23 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -169.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.334 11.4 m -65.13 106.14 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 120.928 -1.108 . . . . 0.0 111.598 167.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -83.51 -11.98 56.78 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 115.778 -2.058 . . . . 0.0 110.659 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -154.2 149.27 26.85 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 120.152 1.342 . . . . 0.0 108.075 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.55 155.42 20.48 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.413 2.685 . . . . 0.0 114.798 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.47 140.86 36.93 Favored Pre-proline 0 N--CA 1.507 2.407 0 C-N-CA 124.276 1.03 . . . . 0.0 111.739 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.95 -165.77 0.14 Allowed 'Trans proline' 0 N--CA 1.527 3.478 0 C-N-CA 122.088 1.859 . . . . 0.0 109.335 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.254 21.1 ptmt -65.03 -13.72 58.63 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 161.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -104.68 177.89 4.72 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 127.346 2.258 . . . . 0.0 109.124 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.0 mt 68.98 -57.16 0.52 Allowed 'General case' 0 C--O 1.264 1.835 0 O-C-N 118.27 -2.769 . . . . 0.0 109.782 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.09 -31.31 69.94 Favored 'General case' 1 N--CA 1.553 4.697 0 C-N-CA 118.476 -1.29 . . . . 0.0 113.427 170.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -74.18 -36.97 64.08 Favored 'General case' 0 N--CA 1.536 3.84 0 C-N-CA 117.962 -1.495 . . . . 0.0 109.306 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.27 -35.57 80.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.203 1.365 . . . . 0.0 107.692 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.93 81.81 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 121.631 2.014 . . . . 0.0 111.679 171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.34 -47.12 87.35 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 117.19 -1.386 . . . . 0.0 107.941 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -78.39 -19.97 52.19 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.33 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.53 91.24 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 165.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.91 -36.56 76.2 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.493 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.4 -41.34 98.74 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.6 mt -78.53 -32.1 16.13 Favored 'Isoleucine or valine' 0 C--O 1.265 1.877 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -26.08 65.83 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.65 -1.906 . . . . 0.0 115.394 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -46.83 -53.07 12.81 Favored 'General case' 0 C--O 1.183 -2.445 0 C-N-CA 128.94 2.896 . . . . 0.0 115.613 -173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -110.06 -40.65 4.67 Favored 'General case' 0 N--CA 1.52 3.053 0 O-C-N 119.137 -2.227 . . . . 0.0 113.376 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 p -67.16 -21.89 65.79 Favored 'General case' 0 N--CA 1.53 3.542 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.08 -141.48 4.4 Favored Glycine 1 CA--C 1.581 4.205 0 CA-C-N 120.428 1.467 . . . . 0.0 110.662 -178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.253 41.3 mttp -132.6 118.36 19.09 Favored 'General case' 0 C--N 1.391 2.395 0 O-C-N 118.148 -2.971 . . . . 0.0 112.47 -175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 tt -124.22 149.65 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.643 0 C-N-CA 126.456 1.902 . . . . 0.0 107.753 -170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -135.45 144.81 46.65 Favored 'General case' 0 N--CA 1.409 -2.517 0 C-N-CA 126.664 1.986 . . . . 0.0 109.976 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -124.72 124.71 42.75 Favored 'General case' 0 N--CA 1.404 -2.751 0 C-N-CA 126.655 1.982 . . . . 0.0 111.252 -151.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.0 159.76 35.57 Favored Glycine 0 CA--C 1.468 -2.866 0 O-C-N 119.051 -2.281 . . . . 0.0 112.582 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.1 m -74.07 -31.1 62.7 Favored 'General case' 0 N--CA 1.399 -3.019 0 O-C-N 120.957 -1.32 . . . . 0.0 113.202 -167.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -65.25 -47.97 74.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.11 -28.22 68.94 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.204 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.462 HG23 HG23 ' A' ' 52' ' ' VAL . 23.4 m -68.7 -43.96 74.97 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 175.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -64.86 -43.09 94.11 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 111.644 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -58.72 -43.11 90.04 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 116.218 -1.848 . . . . 0.0 107.825 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.84 71.3 Favored 'General case' 0 C--N 1.284 -2.249 0 O-C-N 126.02 2.075 . . . . 0.0 113.652 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . 0.268 81.1 t -69.85 -55.95 13.09 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 C-N-CA 128.347 2.659 . . . . 0.0 110.794 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -70.31 -29.06 65.69 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 -170.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -64.68 6.94 0.18 Allowed 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 121.287 3.81 . . . . 0.0 121.287 161.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.04 -18.77 30.82 Favored Glycine 0 C--O 1.272 2.5 0 C-N-CA 126.051 1.786 . . . . 0.0 117.291 152.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -161.36 77.61 0.55 Allowed 'General case' 0 N--CA 1.52 3.051 0 CA-C-N 120.778 2.289 . . . . 0.0 115.192 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.0 159.83 33.54 Favored 'General case' 0 CA--C 1.58 2.132 0 CA-C-O 126.307 2.956 . . . . 0.0 106.797 157.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -35.44 10.07 Favored 'General case' 0 N--CA 1.436 -1.145 0 O-C-N 118.82 -2.425 . . . . 0.0 112.481 173.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 162.88 25.2 Favored 'General case' 0 CA--C 1.586 2.33 0 O-C-N 119.789 -1.819 . . . . 0.0 106.288 170.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG23 ' A' ' 40' ' ' THR . 5.9 p -131.05 141.19 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 115.888 1.811 . . . . 0.0 115.888 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.23 139.43 42.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.279 0 C-N-CA 129.034 2.933 . . . . 0.0 110.921 -175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.8 mt -134.58 146.48 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 124.436 2.065 . . . . 0.0 110.873 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.47 132.86 35.2 Favored 'General case' 0 C--N 1.267 -3.01 0 CA-C-N 111.94 -2.391 . . . . 0.0 107.848 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -73.7 -19.6 60.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 124.266 3.212 . . . . 0.0 116.589 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -95.03 14.72 20.92 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -57.33 139.71 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.855 0 CA-C-N 125.844 3.929 . . . . 0.0 117.017 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -152.02 101.07 2.84 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 129.234 3.014 . . . . 0.0 111.034 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -75.21 138.55 56.48 Favored 'Cis proline' 0 CA--C 1.567 2.13 0 CA-C-N 121.2 1.464 . . . . 0.0 114.879 14.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.41 -23.52 63.72 Favored 'General case' 0 C--O 1.268 2.047 0 CA-C-N 122.175 2.261 . . . . 0.0 113.768 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -63.84 -14.81 56.23 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 125.842 1.657 . . . . 0.0 114.569 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.39 -22.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.785 0 O-C-N 123.755 0.66 . . . . 0.0 110.758 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.36 -4.79 9.26 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 170.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.43 -16.48 55.27 Favored 'General case' 0 N--CA 1.522 3.129 0 O-C-N 125.209 1.568 . . . . 0.0 110.81 -173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -79.85 -15.31 57.65 Favored 'General case' 0 C--O 1.193 -1.917 0 CA-C-N 121.82 2.1 . . . . 0.0 108.87 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.32 -47.98 13.19 Favored Pre-proline 0 N--CA 1.498 1.936 0 CA-C-N 124.268 3.213 . . . . 0.0 113.086 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . 0.283 45.3 Cg_exo -59.87 -55.1 1.83 Allowed 'Trans proline' 0 C--N 1.388 2.655 0 CA-C-N 124.103 2.501 . . . . 0.0 111.056 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.69 -54.51 5.33 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 122.337 2.024 . . . . 0.0 110.264 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.31 -40.9 68.38 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 125.207 2.432 . . . . 0.0 110.954 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.22 -30.28 70.16 Favored 'General case' 0 N--CA 1.519 2.985 0 C-N-CA 128.274 2.629 . . . . 0.0 114.469 172.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.5 -31.37 65.31 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 122.496 2.407 . . . . 0.0 116.194 161.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -70.53 -40.25 73.57 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.293 1.406 . . . . 0.0 112.076 172.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -92.51 -1.93 56.59 Favored 'General case' 0 CA--C 1.578 2.022 0 CA-C-O 127.606 3.574 . . . . 0.0 116.935 -172.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 62.24 38.71 13.22 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 116.326 -3.984 . . . . 0.0 114.449 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 mm -109.62 133.18 20.97 Favored Pre-proline 0 N--CA 1.406 -2.628 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -164.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . 0.284 3.8 Cg_exo -86.72 146.58 8.14 Favored 'Trans proline' 0 CA--C 1.59 3.314 0 C-N-CA 125.276 3.984 . . . . 0.0 114.949 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -139.77 159.22 42.67 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 125.152 1.381 . . . . 0.0 112.481 -167.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 tt -157.91 145.14 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.925 0 O-C-N 118.64 -2.537 . . . . 0.0 112.309 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -88.17 149.04 24.1 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.464 -1.698 . . . . 0.0 111.415 -177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.17 159.07 72.29 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.126 1.33 . . . . 0.0 109.647 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -67.31 -23.45 44.73 Favored 'Trans proline' 0 C--N 1.36 1.143 1 C-N-CA 125.488 4.125 . . . . 0.0 117.733 -153.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -157.62 147.02 19.96 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 119.611 3.189 . . . . 0.0 119.611 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.268 18.0 pttp -61.45 -35.32 77.26 Favored 'General case' 0 CA--C 1.58 2.108 0 O-C-N 124.384 1.052 . . . . 0.0 109.736 174.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -71.73 -30.87 66.1 Favored 'General case' 0 C--O 1.279 2.649 0 O-C-N 120.176 -1.577 . . . . 0.0 110.052 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.59 -20.3 22.74 Favored 'General case' 0 C--N 1.4 2.803 0 CA-C-N 122.689 2.495 . . . . 0.0 107.761 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.06 -43.34 95.79 Favored 'General case' 0 C--O 1.26 1.658 0 O-C-N 118.396 -2.69 . . . . 0.0 117.181 168.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.44 -55.99 19.73 Favored Glycine 0 N--CA 1.49 2.275 1 C-N-CA 131.161 4.22 . . . . 0.0 109.296 167.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.94 63.0 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 119.76 -2.023 . . . . 0.0 115.651 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -41.87 -45.67 3.75 Favored 'General case' 0 C--N 1.288 -2.075 1 O-C-N 116.151 -4.093 . . . . 0.0 114.419 162.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.97 -3.64 33.52 Favored 'General case' 0 CA--C 1.598 2.799 0 CA-C-O 114.402 -2.714 . . . . 0.0 112.463 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.37 8.41 58.66 Favored Glycine 0 CA--C 1.542 1.774 1 C-N-CA 132.114 4.673 . . . . 0.0 110.775 173.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 93' ' ' ILE . 34.7 pt -120.68 161.38 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.661 0 CA-C-N 120.123 1.962 . . . . 0.0 108.29 -172.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -102.81 -17.04 15.74 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.419 HG21 ' N3 ' ' B' ' 19' ' ' ' A' . 23.2 m -72.46 150.1 8.6 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 C-N-CA 125.538 1.535 . . . . 0.0 110.505 161.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.12 143.77 21.52 Favored 'General case' 0 CA--C 1.604 3.048 0 O-C-N 117.267 -3.396 . . . . 0.0 119.742 163.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.21 117.92 19.69 Favored 'General case' 0 C--O 1.177 -2.731 0 CA-C-O 125.971 2.796 . . . . 0.0 107.545 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.75 79.0 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 109.094 -3.685 . . . . 0.0 110.626 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . 0.302 67.2 p -149.26 167.15 26.82 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.473 -2.679 . . . . 0.0 114.225 168.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -142.44 147.69 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 1 C-N-CA 135.456 5.502 . . . . 0.0 110.544 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.66 147.52 49.3 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 117.344 -3.347 . . . . 0.0 113.375 172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 33.1 mm -103.48 116.19 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.051 0 O-C-N 126.357 2.286 . . . . 0.0 109.041 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.01 -39.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 CA-C-O 122.618 1.199 . . . . 0.0 111.893 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -146.8 121.98 5.37 Favored Pre-proline 0 CA--C 1.589 2.453 0 C-N-CA 126.465 1.906 . . . . 0.0 111.052 175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -67.73 -11.22 31.38 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 CA-C-O 117.262 -1.224 . . . . 0.0 112.79 -174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.64 -128.33 40.65 Favored Glycine 0 CA--C 1.46 -3.35 0 CA-C-N 121.986 2.175 . . . . 0.0 112.23 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -51.21 -36.09 39.81 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 130.57 3.548 . . . . 0.0 110.823 166.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.56 24.18 0.73 Allowed 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 117.557 2.429 . . . . 0.0 117.557 -168.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -53.31 -51.55 61.98 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -80.03 -25.16 40.29 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 119.881 -1.762 . . . . 0.0 107.699 -171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -69.69 -35.97 75.55 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.043 2.937 . . . . 0.0 109.693 171.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.49 -34.65 48.95 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.734 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 170.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.61 -50.31 45.64 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 123.913 0.885 . . . . 0.0 109.803 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -30.3 71.19 Favored 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.95 -28.21 5.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 O-C-N 117.795 -3.066 . . . . 0.0 109.664 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.9 83.66 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 127.085 2.154 . . . . 0.0 110.399 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 44.0 mtm -53.69 -40.49 66.05 Favored 'General case' 1 N--CA 1.543 4.187 0 C-N-CA 127.634 2.374 . . . . 0.0 111.822 172.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.52 -36.62 38.21 Favored 'General case' 0 N--CA 1.52 3.062 0 O-C-N 126.043 2.089 . . . . 0.0 115.695 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.3 t -55.09 -39.78 51.82 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.573 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.317 163.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -71.2 -25.52 62.55 Favored 'General case' 0 CA--C 1.571 1.758 0 O-C-N 117.6 -3.187 . . . . 0.0 112.726 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.2 -41.22 15.83 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 118.654 2.835 . . . . 0.0 118.654 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.71 -11.48 60.18 Favored 'General case' 0 CA--C 1.569 1.705 0 O-C-N 119.704 -1.873 . . . . 0.0 112.585 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -78.11 -12.54 60.0 Favored 'General case' 0 C--O 1.28 2.7 0 O-C-N 117.703 -3.123 . . . . 0.0 111.498 168.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt . . . . . 0 N--CA 1.524 3.259 0 O-C-N 118.218 -2.801 . . . . 0.0 108.172 -169.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.374 -4.139 2 C5'-C4'-O4' 117.004 5.574 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.928 2 O4'-C1'-N19 114.046 5.846 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.465 -6.259 1 C3'-C2'-C1' 105.173 4.081 . 0.563 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.368 -4.482 5 O4'-C1'-N19 116.076 7.876 . 0.106 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.592 6.383 4 P-O3'-C3' 126.723 5.852 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.361 -7.675 5 C3'-C2'-C1' 108.792 8.102 . 0.223 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 7.219 3 O4'-C1'-N19 116.04 7.84 . 0.593 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.583 5.266 2 O4'-C1'-N19 116.173 7.973 . 0.057 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.577 ' H1 ' ' N2 ' ' B' ' 14' ' ' ' G' . . . . . . . . 1 P--O3' 1.531 -6.343 2 O5'-C5'-C4' 118.234 5.738 . 0.231 &a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.49 6.351 6 C3'-C2'-C1' 108.671 7.968 . 0.488 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.462 -6.596 0 O4'-C1'-N19 105.246 -2.954 . 0.293 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.355 -5.323 1 O5'-C5'-C4' 118.538 5.956 . 0.551 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . 0.577 ' N2 ' ' H1 ' ' B' ' 10' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.569 3.959 2 C4'-C3'-C2' 98.25 -4.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.773 5 C4'-C3'-C2' 95.44 -7.26 . 0.418 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.598 6.789 1 C3'-C2'-C1' 97.45 -4.5 . 0.531 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.594 6.494 2 O5'-C5'-C4' 119.646 6.747 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.576 4.612 1 O3'-P-O5' 95.593 -4.425 . 0.459 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . 0.419 ' N3 ' HG21 ' A' ' 95' ' ' VAL . . . . . . . . 2 P--O5' 1.537 -5.598 2 O5'-C5'-C4' 102.833 -5.262 OUTLIER-DELTA 0.105 7r . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.512 -7.897 2 C5'-C4'-C3' 108.55 -4.633 . 0.027 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.622 1 P-O3'-C3' 125.267 4.64 . 0.25 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 23' ' ' ' U' . . . . . . . . 3 C2'--O2' 1.491 6.011 0 C4'-C3'-C2' 99.599 -3.101 . 0.319 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.446 ' C5 ' ' C5 ' ' B' ' 22' ' ' ' A' . . . . . . . . 4 P--O3' 1.527 -6.654 2 O4'-C1'-N19 119.254 11.054 . 0.44 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.341 -6.068 0 C5'-C4'-O4' 103.695 -3.932 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt . . . . . 0 N--CA 1.505 2.285 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.5 169.99 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 CA-C-O 125.665 2.277 . . . . 0.0 111.352 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -68.13 -24.15 64.98 Favored 'General case' 0 C--O 1.198 -1.652 0 O-C-N 117.162 -3.461 . . . . 0.0 116.988 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -88.48 -13.52 40.1 Favored 'General case' 0 N--CA 1.515 2.793 1 O-C-N 113.448 -5.783 . . . . 0.0 111.21 -169.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.274 15.4 m -72.34 95.74 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-N 122.629 2.468 . . . . 0.0 112.768 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.26 -9.55 58.65 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 114.991 -2.433 . . . . 0.0 112.961 -176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -154.92 161.38 41.43 Favored 'General case' 0 CA--C 1.601 2.931 0 O-C-N 127.292 2.87 . . . . 0.0 109.982 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.52 144.93 45.94 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 117.004 -3.56 . . . . 0.0 108.132 162.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.64 118.76 24.45 Favored Pre-proline 0 C--O 1.252 1.204 0 CA-C-N 110.813 -2.903 . . . . 0.0 108.492 169.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.38 -164.53 0.2 Allowed 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 124.138 3.225 . . . . 0.0 113.414 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -60.31 -41.15 92.86 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 127.123 2.169 . . . . 0.0 110.332 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -85.23 174.29 9.74 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 112.811 -1.995 . . . . 0.0 112.074 171.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.0 mt 69.02 -56.91 0.53 Allowed 'General case' 0 N--CA 1.433 -1.291 1 O-C-N 116.054 -4.154 . . . . 0.0 115.388 -176.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.75 -54.2 31.12 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 123.088 1.423 . . . . 0.0 114.006 169.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.16 -23.41 63.91 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 176.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.3 -43.49 33.02 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 116.291 -1.814 . . . . 0.0 111.403 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.25 -36.71 82.85 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 119.789 1.177 . . . . 0.0 112.852 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.78 -54.06 37.27 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.247 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.317 1.0 OUTLIER -62.45 -28.93 70.15 Favored 'General case' 0 C--O 1.196 -1.749 0 CA-C-O 114.829 -2.51 . . . . 0.0 115.191 178.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.85 76.94 Favored 'General case' 0 CA--C 1.487 -1.463 0 O-C-N 126.551 2.407 . . . . 0.0 112.727 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.32 -42.15 95.33 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.454 0 O-C-N 124.431 1.082 . . . . 0.0 108.816 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.277 11.9 mt-10 -46.75 -42.96 17.65 Favored 'General case' 0 C--O 1.261 1.678 0 C-N-CA 128.142 2.577 . . . . 0.0 114.804 170.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.303 28.3 mt -70.28 -57.41 8.1 Favored 'Isoleucine or valine' 0 C--O 1.249 1.071 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.88 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.86 78.76 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 124.411 1.084 . . . . 0.0 112.579 -173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -41.99 -47.91 4.48 Favored 'General case' 1 N--CA 1.565 5.297 0 CA-C-O 112.441 -3.647 . . . . 0.0 111.876 167.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.33 0.08 7.69 Favored 'General case' 0 C--O 1.257 1.498 0 CA-C-N 125.585 3.811 . . . . 0.0 113.458 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.6 p -100.51 -18.89 16.44 Favored 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 122.341 2.337 . . . . 0.0 112.21 168.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.21 -139.02 3.79 Favored Glycine 0 N--CA 1.474 1.229 0 CA-C-O 117.401 -1.777 . . . . 0.0 112.762 -161.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -133.17 140.97 47.87 Favored 'General case' 1 N--CA 1.572 5.63 0 C-N-CA 127.249 2.22 . . . . 0.0 108.773 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 tt -147.23 148.74 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 127.171 2.189 . . . . 0.0 108.544 -166.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -126.62 138.39 53.43 Favored 'General case' 0 C--O 1.246 0.914 0 C-N-CA 124.868 1.267 . . . . 0.0 113.515 167.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE3' HG23 ' A' ' 93' ' ' ILE . 24.5 pttm -133.06 131.85 41.09 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 -171.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.86 145.45 16.42 Favored Glycine 0 N--CA 1.502 3.073 0 CA-C-O 124.643 2.246 . . . . 0.0 108.683 -171.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.3 m -60.53 -40.08 90.2 Favored 'General case' 0 N--CA 1.422 -1.868 1 O-C-N 114.74 -4.977 . . . . 0.0 116.059 -171.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -65.23 -40.39 93.99 Favored 'General case' 0 N--CA 1.527 3.4 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.6 -43.44 69.32 Favored 'General case' 0 C--O 1.158 -3.737 0 O-C-N 120.823 -1.173 . . . . 0.0 111.984 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.1 m -55.83 -48.63 75.13 Favored 'General case' 0 C--O 1.279 2.64 0 C-N-CA 126.137 1.775 . . . . 0.0 111.625 165.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.0 m -68.22 -26.93 65.95 Favored 'General case' 0 CA--C 1.602 2.968 0 O-C-N 118.545 -2.597 . . . . 0.0 114.546 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.06 -46.43 71.1 Favored 'General case' 0 N--CA 1.432 -1.371 0 O-C-N 126.964 2.665 . . . . 0.0 105.668 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.68 72.06 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 120.507 -1.37 . . . . 0.0 109.481 -170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.02 -29.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -172.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -83.32 -17.81 41.15 Favored 'General case' 0 CA--C 1.583 2.226 0 O-C-N 119.576 -1.952 . . . . 0.0 111.232 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.46 -45.62 13.42 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 125.819 1.949 . . . . 0.0 114.614 -170.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.88 -175.57 42.47 Favored Glycine 0 C--O 1.269 2.329 0 CA-C-N 121.579 1.99 . . . . 0.0 109.412 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.12 85.54 0.36 Allowed 'General case' 0 N--CA 1.423 -1.777 0 C-N-CA 124.853 1.261 . . . . 0.0 112.656 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.79 167.2 17.7 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 119.694 -1.879 . . . . 0.0 109.544 162.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -114.22 -29.24 7.0 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 125.626 1.57 . . . . 0.0 114.485 -173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -151.52 165.67 33.5 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 124.745 1.278 . . . . 0.0 108.092 165.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.06 139.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.158 161.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.29 131.13 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -170.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.3 mt -121.53 142.78 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 114.926 -2.464 . . . . 0.0 109.821 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.82 177.32 7.68 Favored 'General case' 0 CA--C 1.592 2.578 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -115.42 -12.22 11.74 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.334 1.425 . . . . 0.0 113.579 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -93.96 15.74 16.11 Favored 'General case' 0 CA--C 1.583 2.215 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 t -70.25 133.22 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.787 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -159.15 118.58 1.72 Allowed Pre-proline 0 N--CA 1.519 2.98 0 O-C-N 126.26 2.225 . . . . 0.0 109.457 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -61.17 129.34 5.77 Favored 'Cis proline' 0 C--O 1.184 -2.199 0 CA-C-N 126.621 3.4 . . . . 0.0 116.303 0.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -56.75 -32.01 65.15 Favored 'General case' 0 N--CA 1.525 3.291 0 O-C-N 117.001 -3.562 . . . . 0.0 112.544 -174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -50.85 -30.39 14.33 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-O 123.837 1.779 . . . . 0.0 115.39 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 pt -73.73 -11.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.321 0 O-C-N 119.972 -1.705 . . . . 0.0 111.378 -167.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 m -112.04 -14.5 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.039 0 O-C-N 119.44 -2.038 . . . . 0.0 112.725 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.33 -15.62 1.72 Allowed 'General case' 0 C--O 1.253 1.272 0 C-N-CA 125.731 1.612 . . . . 0.0 114.895 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -71.27 -21.12 62.14 Favored 'General case' 0 C--O 1.271 2.186 0 C-N-CA 127.118 2.167 . . . . 0.0 115.505 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 92.4 mt -76.14 -51.37 2.76 Favored Pre-proline 0 C--O 1.199 -1.588 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -171.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU 0.387 39.0 Cg_exo -59.75 -37.72 85.25 Favored 'Trans proline' 0 CA--C 1.587 3.151 0 N-CA-C 118.184 2.34 . . . . 0.0 118.184 -176.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -71.0 -30.5 16.45 Favored 'Trans proline' 0 C--O 1.26 1.59 0 C-N-CA 124.201 3.267 . . . . 0.0 112.13 170.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.2 tp -73.38 -39.99 64.69 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.605 -0.684 . . . . 0.0 112.639 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.19 -29.58 69.88 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-O 114.393 -2.717 . . . . 0.0 113.699 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.78 -36.63 70.41 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 123.107 2.685 . . . . 0.0 109.859 166.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -72.82 -27.81 62.18 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -101.35 8.7 42.19 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 129.53 3.132 . . . . 0.0 113.152 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 54.51 38.28 29.44 Favored 'General case' 0 CA--C 1.58 2.123 0 O-C-N 117.79 -3.069 . . . . 0.0 113.415 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.6 mm -97.07 128.57 34.85 Favored Pre-proline 0 C--O 1.27 2.168 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 167.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -69.02 130.27 19.93 Favored 'Trans proline' 0 C--N 1.361 1.217 1 C-N-CA 126.011 4.474 . . . . 0.0 114.564 171.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -127.85 148.25 50.46 Favored 'General case' 0 C--N 1.363 1.174 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 -173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 tt -148.76 153.77 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-O 126.35 2.976 . . . . 0.0 111.579 -176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -105.35 146.18 29.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 118.768 -2.458 . . . . 0.0 114.972 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 22.8 m -134.35 151.84 76.98 Favored Pre-proline 0 N--CA 1.522 3.16 0 C-N-CA 130.435 3.494 . . . . 0.0 115.161 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 81' ' ' VAL . 17.2 Cg_exo -65.59 -26.6 54.0 Favored 'Trans proline' 0 CA--C 1.473 -2.568 1 C-N-CA 125.428 4.085 . . . . 0.0 113.45 -159.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -160.46 130.85 5.36 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 119.213 3.042 . . . . 0.0 119.213 -171.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -59.14 -33.73 71.23 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 128.294 2.638 . . . . 0.0 112.704 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -60.11 -47.18 86.97 Favored 'General case' 0 N--CA 1.521 3.083 0 CA-C-N 121.391 1.905 . . . . 0.0 109.228 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -72.68 -38.49 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 127.221 2.825 . . . . 0.0 113.419 -171.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.304 61.6 tp -55.9 -38.66 70.53 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 128.264 2.626 . . . . 0.0 117.227 169.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.42 -56.84 11.72 Favored Glycine 0 CA--C 1.553 2.451 0 CA-C-N 113.101 -1.863 . . . . 0.0 111.002 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.46 -45.73 66.2 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 118.939 -1.104 . . . . 0.0 113.646 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . 0.322 . . -53.6 -43.39 68.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 125.567 1.792 . . . . 0.0 111.84 168.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.44 1.33 33.64 Favored 'General case' 0 CA--C 1.585 2.291 0 CA-C-N 124.451 3.296 . . . . 0.0 114.061 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.62 34.66 5.93 Favored Glycine 0 C--O 1.259 1.71 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' HE3' ' A' ' 35' ' ' LYS . 7.8 pt -137.89 160.58 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 125.782 1.519 . . . . 0.0 108.27 173.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -80.18 -21.0 43.48 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 124.429 2.061 . . . . 0.0 110.533 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 93' ' ' ILE . 14.7 t -70.74 147.55 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.86 0 O-C-N 118.803 -2.436 . . . . 0.0 110.686 172.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.55 159.38 31.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 117.654 -3.154 . . . . 0.0 111.571 173.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -141.74 101.75 4.03 Favored 'General case' 0 N--CA 1.409 -2.525 0 O-C-N 116.717 -3.739 . . . . 0.0 109.54 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.07 68.02 Favored 'General case' 0 C--N 1.402 2.865 0 C-N-CA 126.884 2.074 . . . . 0.0 113.512 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 74.3 p -148.47 159.47 44.01 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 127.18 2.192 . . . . 0.0 110.33 169.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -147.31 137.41 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 127.973 2.509 . . . . 0.0 108.132 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.16 126.77 49.03 Favored 'General case' 0 C--O 1.202 -1.409 1 C-N-CA 132.285 4.234 . . . . 0.0 117.223 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.8 mm -93.39 128.49 44.8 Favored 'Isoleucine or valine' 0 C--N 1.395 2.549 0 CA-C-O 115.072 -2.394 . . . . 0.0 107.296 -176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.17 -46.07 6.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 121.004 1.729 . . . . 0.0 108.181 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.36 113.26 9.46 Favored Pre-proline 0 C--O 1.281 2.748 0 CA-C-O 116.169 -1.872 . . . . 0.0 108.417 173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -72.43 -10.26 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.958 1.772 . . . . 0.0 115.081 -174.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.27 -127.66 32.55 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 106.099 -2.8 . . . . 0.0 106.099 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.56 -18.92 64.45 Favored 'General case' 0 N--CA 1.528 3.434 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.92 21.61 0.55 Allowed 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 119.102 3.001 . . . . 0.0 119.102 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -51.87 -61.14 2.44 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 126.268 2.937 . . . . 0.0 117.286 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.41 -23.08 62.69 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 113.49 -1.686 . . . . 0.0 112.668 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.0 tp -72.42 -38.08 68.48 Favored 'General case' 0 CA--C 1.487 -1.474 1 O-C-N 115.778 -4.326 . . . . 0.0 111.689 172.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 p -79.1 -16.87 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.234 0 O-C-N 117.641 -3.162 . . . . 0.0 111.007 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -76.6 -53.47 8.0 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 116.596 -1.669 . . . . 0.0 110.515 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.16 77.52 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 115.076 -2.392 . . . . 0.0 113.351 -173.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.6 tp -73.9 -31.33 30.52 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 O-C-N 125.374 1.671 . . . . 0.0 114.593 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.75 -29.64 68.09 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 126.305 2.253 . . . . 0.0 113.359 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 74.4 mtm -65.61 -31.15 72.02 Favored 'General case' 0 CA--C 1.599 2.864 0 CA-C-O 114.569 -2.634 . . . . 0.0 112.67 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.29 -39.85 86.01 Favored 'General case' 0 N--CA 1.492 1.662 1 CA-C-O 129.053 4.264 . . . . 0.0 113.927 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.25 -40.13 82.8 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 1 O-C-N 115.77 -4.331 . . . . 0.0 110.829 -176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -50.87 -56.86 10.22 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 114.47 -1.241 . . . . 0.0 114.292 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.86 -29.05 65.06 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.13 -44.75 45.28 Favored 'General case' 0 C--N 1.28 -2.416 0 O-C-N 127.323 2.889 . . . . 0.0 113.595 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 31.6 ttm -66.19 -24.83 66.7 Favored 'General case' 0 N--CA 1.509 2.512 0 CA-C-O 122.386 1.088 . . . . 0.0 112.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 124' ' ' LYS . 33.1 ttpt . . . . . 0 CA--C 1.485 -1.548 0 CA-C-O 113.957 -2.925 . . . . 0.0 116.394 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.579 5.321 3 O5'-C5'-C4' 122.243 8.602 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.144 5 O4'-C1'-N19 113.375 5.175 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.527 ' N2 ' " H1'" ' B' ' 21' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.394 -4.949 1 C4'-C3'-C2' 98.649 -4.051 . 0.835 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.487 5.662 3 C5'-C4'-C3' 106.403 -6.065 . 0.037 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.063 3 C5'-C4'-O4' 116.534 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.461 3.884 3 O4'-C1'-N19 114.926 6.726 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.552 -4.128 2 C4'-C3'-C2' 97.653 -5.047 . 0.463 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.56 3.143 2 P-O3'-C3' 126.105 5.338 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.524 " H3'" ' C8 ' ' B' ' 11' ' ' ' A' . . . . . . . . 1 C2'--O2' 1.5 6.673 3 O4'-C1'-N19 115.059 6.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . 0.524 ' C8 ' " H3'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.37 -3.782 1 O4'-C1'-N19 103.817 -4.383 . 0.089 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.518 1 C5'-C4'-O4' 117.641 6.03 . 0.046 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.58 5.351 4 C3'-C2'-C1' 107.412 6.569 . 0.352 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.475 -4.549 1 P-O3'-C3' 125.05 4.458 . 0.372 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.377 0 C1'-C2'-O2' 100.884 -3.239 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.297 3 O4'-C1'-N19 114.096 5.896 . 0.692 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--OP2 1.564 4.62 2 O4'-C1'-N19 112.86 4.66 . 0.663 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 2 O4'-C1'-N19 113.555 5.355 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.521 8.341 5 O4'-C1'-N19 114.454 6.254 . 0.214 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.401 -4.302 0 C4'-C3'-C2' 99.364 -3.336 . 0.48 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.527 " H1'" ' N2 ' ' B' ' 4' ' ' ' G' . . . . . . . . 1 P--O3' 1.55 -4.776 2 P-O3'-C3' 130.02 8.6 . 0.356 2[ . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.525 -6.831 1 C1'-O4'-C4' 113.649 4.499 . 0.702 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.333 1 P-O5'-C5' 113.949 -4.344 . 0.25 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.514 -7.913 0 C5'-C4'-O4' 114.279 3.628 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 125.501 2.572 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . 0.264 2.9 Cg_exo -65.41 170.05 11.53 Favored 'Trans proline' 0 N--CA 1.485 1.029 0 CA-C-N 112.507 -1.64 . . . . 0.0 114.224 173.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -77.74 -26.12 49.72 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 116.415 -2.114 . . . . 0.0 114.848 163.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -69.7 -8.46 48.02 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.259 26.5 m -89.56 112.2 24.09 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.751 0 C-N-CA 124.656 1.182 . . . . 0.0 110.057 -175.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -111.43 -5.51 14.59 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 116.94 -3.6 . . . . 0.0 115.429 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.51 169.33 17.79 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.57 157.71 36.19 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.045 0.938 . . . . 0.0 112.259 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -133.24 91.06 28.63 Favored Pre-proline 0 C--O 1.203 -1.381 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -71.66 177.44 6.87 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 122.158 1.906 . . . . 0.0 113.186 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -69.11 -32.08 71.23 Favored 'General case' 0 N--CA 1.518 2.932 0 O-C-N 124.367 1.042 . . . . 0.0 112.862 172.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.02 170.24 10.21 Favored 'General case' 0 N--CA 1.521 3.116 0 C-N-CA 128.104 2.562 . . . . 0.0 113.32 162.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 mt 66.73 -50.79 0.46 Allowed 'General case' 0 C--O 1.191 -1.975 0 CA-C-N 120.817 1.644 . . . . 0.0 114.546 -159.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.08 47.07 Favored 'General case' 0 N--CA 1.539 3.99 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.46 -27.8 68.82 Favored 'General case' 0 C--O 1.18 -2.576 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -76.02 -39.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.25 93.98 Favored 'General case' 0 N--CA 1.539 3.984 0 CA-C-N 113.608 -1.633 . . . . 0.0 111.389 163.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.22 -45.28 77.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 122.527 2.421 . . . . 0.0 111.577 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.75 -25.23 61.96 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.182 -1.574 . . . . 0.0 110.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.28 80.22 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 169.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -67.89 -36.17 74.77 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.763 0 CA-C-O 115.729 -2.081 . . . . 0.0 110.113 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.47 -5.58 20.16 Favored 'General case' 0 C--N 1.269 -2.928 0 O-C-N 126.882 2.614 . . . . 0.0 112.455 175.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -119.02 -38.76 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-N 122.175 2.262 . . . . 0.0 112.981 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.279 . . -72.13 -22.06 61.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 O-C-N 124.985 1.428 . . . . 0.0 107.684 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -65.75 -35.34 80.44 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 115.989 -1.958 . . . . 0.0 110.874 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -126.62 -32.75 2.6 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 120.246 1.384 . . . . 0.0 111.437 -161.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.8 p -82.93 -13.74 55.48 Favored 'General case' 0 N--CA 1.53 3.558 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.805 172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.88 -157.79 9.02 Favored Glycine 0 CA--C 1.565 3.207 0 C-N-CA 129.283 3.325 . . . . 0.0 115.385 -164.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -127.09 135.92 51.44 Favored 'General case' 0 C--O 1.28 2.672 0 C-N-CA 127.224 2.21 . . . . 0.0 110.662 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 tt -137.91 156.2 31.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -127.98 122.77 33.13 Favored 'General case' 0 CA--C 1.568 1.657 0 C-N-CA 126.026 1.73 . . . . 0.0 109.827 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.71 146.07 50.99 Favored 'General case' 0 C--O 1.196 -1.744 0 CA-C-N 125.79 3.905 . . . . 0.0 117.629 -168.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.31 156.35 32.22 Favored Glycine 0 N--CA 1.48 1.596 0 N-CA-C 107.821 -2.111 . . . . 0.0 107.821 -166.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.3 m -68.06 -41.16 82.41 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 127.584 2.354 . . . . 0.0 111.045 -175.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -59.07 -40.53 85.5 Favored 'General case' 0 C--O 1.185 -2.326 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -71.31 -43.88 66.23 Favored 'General case' 0 C--O 1.189 -2.121 1 O-C-N 114.778 -4.952 . . . . 0.0 111.512 176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.7 m -57.31 -53.58 56.49 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 125.691 1.596 . . . . 0.0 109.488 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.5 m -61.4 -38.09 85.82 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 122.384 2.356 . . . . 0.0 112.695 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -62.52 -44.87 95.3 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.431 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.34 73.09 Favored 'General case' 0 C--O 1.16 -3.655 0 CA-C-O 115.563 -2.16 . . . . 0.0 111.139 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -71.2 -29.91 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 CA-C-N 122.772 2.533 . . . . 0.0 109.101 -174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -72.33 -23.2 61.12 Favored 'General case' 0 N--CA 1.518 2.974 0 O-C-N 118.446 -2.659 . . . . 0.0 115.322 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -87.48 59.02 5.26 Favored 'General case' 0 C--O 1.193 -1.918 0 C-N-CA 131.142 3.777 . . . . 0.0 111.705 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 -63.37 2.14 Favored Glycine 0 CA--C 1.571 3.54 0 CA-C-N 110.418 -3.083 . . . . 0.0 116.941 173.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -136.32 152.01 50.22 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 119.7 1.75 . . . . 0.0 113.72 163.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.08 177.34 4.68 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 127.413 2.946 . . . . 0.0 106.449 155.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -106.95 -38.35 6.07 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 126.541 1.936 . . . . 0.0 114.896 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -165.2 152.67 11.0 Favored 'General case' 0 CA--C 1.473 -1.999 0 C-N-CA 128.486 2.715 . . . . 0.0 110.769 168.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.57 144.75 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.813 0 O-C-N 118.477 -2.639 . . . . 0.0 109.794 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -132.18 131.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 C-N-CA 128.878 2.871 . . . . 0.0 108.691 -164.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.23 146.59 33.55 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.631 0 O-C-N 119.402 -2.061 . . . . 0.0 112.095 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.56 149.75 32.97 Favored 'General case' 0 C--O 1.271 2.232 0 O-C-N 120.428 -1.42 . . . . 0.0 113.279 -174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -13.35 59.93 Favored 'General case' 0 N--CA 1.517 2.912 1 O-C-N 115.086 -4.759 . . . . 0.0 111.352 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -124.69 31.91 5.58 Favored 'General case' 0 C--N 1.379 1.884 0 O-C-N 118.786 -2.446 . . . . 0.0 109.39 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.95 142.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.46 0 O-C-N 118.532 -2.605 . . . . 0.0 108.272 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -140.06 134.25 15.64 Favored Pre-proline 0 N--CA 1.417 -2.101 0 N-CA-C 118.842 2.905 . . . . 0.0 118.842 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -56.97 149.88 28.91 Favored 'Cis proline' 0 C--N 1.368 1.574 0 CA-C-O 123.445 1.352 . . . . 0.0 114.88 -18.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.37 -29.45 70.75 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 117.528 -3.232 . . . . 0.0 116.577 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.62 -21.16 65.4 Favored 'General case' 0 C--O 1.261 1.665 0 C-N-CA 129.52 3.128 . . . . 0.0 112.422 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -7.31 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 120.035 3.346 . . . . 0.0 120.035 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.7 -19.88 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.504 0 O-C-N 125.137 1.523 . . . . 0.0 111.702 175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . 0.268 . . -47.37 -25.54 1.05 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 112.772 -3.49 . . . . 0.0 113.672 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -67.08 -12.63 60.48 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 122.093 2.224 . . . . 0.0 116.017 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.94 -46.01 3.89 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -167.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.73 -50.27 9.64 Favored 'Trans proline' 0 C--O 1.285 2.835 1 CA-C-O 110.566 -4.014 . . . . 0.0 111.852 174.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -65.89 -18.9 58.43 Favored 'Trans proline' 0 C--N 1.376 2.016 0 CA-C-N 126.587 3.388 . . . . 0.0 113.156 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.7 tp -76.11 -38.66 56.6 Favored 'General case' 0 C--O 1.276 2.481 0 O-C-N 118.34 -2.725 . . . . 0.0 112.926 170.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 80.6 m -64.61 -47.96 76.69 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 123.219 1.485 . . . . 0.0 113.109 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.19 -32.69 66.71 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 171.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.45 -39.07 89.5 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -112.53 20.08 16.95 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 122.074 2.215 . . . . 0.0 115.7 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 52.64 38.57 26.38 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 128.016 2.526 . . . . 0.0 112.963 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.3 mm -98.93 139.07 20.78 Favored Pre-proline 0 C--N 1.296 -1.746 0 O-C-N 119.398 -2.064 . . . . 0.0 110.26 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -79.21 147.4 20.61 Favored 'Trans proline' 0 CA--C 1.587 3.138 0 C-N-CA 123.109 2.539 . . . . 0.0 108.508 172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -139.95 145.87 38.45 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 128.364 2.665 . . . . 0.0 114.428 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -145.66 149.19 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.693 0 CA-C-O 121.85 0.833 . . . . 0.0 109.314 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -110.06 155.89 21.27 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.522 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 m -145.68 150.09 42.19 Favored Pre-proline 0 C--N 1.289 -2.049 0 CA-C-O 116.163 -1.875 . . . . 0.0 115.508 -175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.59 -19.34 52.09 Favored 'Trans proline' 0 N--CA 1.423 -2.664 0 CA-C-O 112.255 -3.31 . . . . 0.0 118.973 -165.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 127.21 14.69 Favored 'General case' 0 CA--C 1.575 1.924 0 CA-C-N 122.656 2.48 . . . . 0.0 117.516 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -64.8 -38.15 90.0 Favored 'General case' 0 CA--C 1.474 -1.961 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -68.76 -41.22 79.17 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 110.856 -2.884 . . . . 0.0 112.268 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.97 -36.72 78.22 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 115.57 -2.157 . . . . 0.0 115.729 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.71 -35.27 75.91 Favored 'General case' 0 C--O 1.274 2.377 0 C-N-CA 127.445 2.298 . . . . 0.0 115.433 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.04 -47.87 70.09 Favored Glycine 0 C--O 1.258 1.646 0 C-N-CA 125.052 1.31 . . . . 0.0 114.53 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.4 83.31 Favored 'General case' 0 N--CA 1.404 -2.745 0 CA-C-O 126.128 2.87 . . . . 0.0 117.167 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.42 7.47 Favored 'General case' 0 C--N 1.38 1.892 0 CA-C-O 112.876 -3.44 . . . . 0.0 112.058 163.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.1 -6.2 1.31 Allowed 'General case' 0 CA--C 1.56 1.343 0 O-C-N 127.542 3.026 . . . . 0.0 113.716 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.8 13.6 77.48 Favored Glycine 0 C--O 1.277 2.801 0 CA-C-O 116.876 -2.069 . . . . 0.0 115.104 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.1 pt -100.11 174.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-N 122.493 3.147 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.14 -16.07 28.35 Favored 'General case' 0 CA--C 1.574 1.896 0 CA-C-O 114.657 -2.592 . . . . 0.0 115.881 -168.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.2 m -109.34 171.06 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 128.59 2.756 . . . . 0.0 111.047 171.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.38 144.86 49.84 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 117.677 -1.154 . . . . 0.0 114.027 167.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.04 134.37 55.04 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.089 1.313 . . . . 0.0 111.05 172.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.72 -24.58 36.04 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.7 p -158.28 156.73 31.19 Favored 'General case' 0 CA--C 1.592 2.567 0 O-C-N 126.873 2.608 . . . . 0.0 114.257 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.2 p -144.51 150.89 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 128.019 2.528 . . . . 0.0 110.984 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.39 128.0 36.63 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.493 -1.38 . . . . 0.0 107.543 -173.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 mm -81.5 135.88 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.659 0 O-C-N 118.708 -2.495 . . . . 0.0 111.451 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 tp -126.57 -18.91 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 116.325 -3.985 . . . . 0.0 109.427 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -151.13 117.76 3.3 Favored Pre-proline 0 N--CA 1.513 2.711 0 CA-C-N 120.055 1.298 . . . . 0.0 112.069 162.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -68.6 -10.23 28.44 Favored 'Trans proline' 0 C--N 1.393 2.882 0 N-CA-C 118.742 2.554 . . . . 0.0 118.742 -172.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.4 -119.59 18.86 Favored Glycine 0 CA--C 1.559 2.838 0 C-N-CA 127.196 2.332 . . . . 0.0 109.3 -163.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -64.25 -34.07 77.27 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.659 1.184 . . . . 0.0 111.774 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.93 33.32 0.27 Allowed 'General case' 0 C--N 1.365 1.248 0 O-C-N 118.002 -2.936 . . . . 0.0 117.606 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -62.2 -45.88 91.4 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 119.04 -2.287 . . . . 0.0 113.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.12 -30.78 55.38 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.07 -39.39 86.84 Favored 'General case' 0 CA--C 1.598 2.805 0 N-CA-C 117.629 2.455 . . . . 0.0 117.629 168.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.02 -34.79 68.98 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 O-C-N 120.314 -1.492 . . . . 0.0 111.444 166.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . 0.414 7.5 tt0 -61.19 -50.49 72.92 Favored 'General case' 0 C--N 1.378 1.805 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 166.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.279 1.0 OUTLIER -62.88 -45.33 93.05 Favored 'General case' 0 CA--C 1.569 1.676 0 CA-C-N 123.875 3.034 . . . . 0.0 117.866 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 119' ' ' VAL . 7.9 tp -64.1 -32.2 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 117.591 -1.643 . . . . 0.0 115.233 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.13 78.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 126.505 3.05 . . . . 0.0 114.618 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.06 -39.27 71.8 Favored 'General case' 0 N--CA 1.516 2.85 1 O-C-N 115.363 -4.585 . . . . 0.0 114.294 161.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . 0.26 89.0 mttt -80.13 -37.19 34.07 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-O 113.118 -3.325 . . . . 0.0 109.357 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 115' ' ' ILE . 42.6 t -64.51 -41.82 93.4 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.508 0 O-C-N 127.472 2.983 . . . . 0.0 109.696 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -52.58 -34.64 51.49 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 129.903 3.281 . . . . 0.0 111.577 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -71.16 -18.37 62.5 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 123.404 2.82 . . . . 0.0 112.033 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.326 1.1 pt? -123.51 -25.84 4.31 Favored 'General case' 0 C--O 1.26 1.625 0 C-N-CA 130.683 3.593 . . . . 0.0 117.509 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.07 -31.74 31.61 Favored 'General case' 0 N--CA 1.528 3.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.83 163.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 C--O 1.272 2.251 0 C-N-CA 128.486 2.715 . . . . 0.0 110.414 148.366 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.468 4.214 3 C4'-C3'-C2' 96.254 -6.446 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.47 4.378 3 C3'-C2'-C1' 109.422 8.802 . 0.448 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.575 4.686 2 C5'-C4'-C3' 107.125 -5.583 . 0.697 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 5.686 1 C1'-O4'-C4' 105.235 -4.85 . 0.43 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.512 -8.085 5 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.036 5 N19-C1'-C2' 103.134 -6.416 . 0.405 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.343 -5.944 3 C5'-C4'-C3' 107.802 -5.132 . 0.618 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.381 -5.977 1 O4'-C1'-N19 113.841 5.641 . 0.694 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.603 7.136 2 C5'-C4'-O4' 118.756 6.825 . 0.035 5d . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.906 3 C5'-C4'-C3' 108.63 -4.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C2'--O2' 1.474 4.685 1 O4'-C1'-N19 113.449 5.249 . 0.568 4p . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.526 -6.724 2 O4'-C1'-N19 114.934 6.734 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.317 -7.673 0 N19-C1'-C2' 108.088 -3.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.932 1 OP1-P-OP2 113.012 -4.392 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.489 5.842 4 C1'-O4'-C4' 104.131 -6.076 . 0.585 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.555 2.832 1 O4'-C1'-N19 104.18 -4.02 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -6.959 4 C1'-O4'-C4' 102.035 -8.405 . 0.257 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.369 -4.416 1 O4'-C1'-N19 113.363 5.163 . 0.118 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.375 -6.519 3 C5'-C4'-O4' 118.668 6.763 . 0.01 6j . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.658 6.532 2 C1'-O4'-C4' 115.049 6.055 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.706 11.316 3 O5'-C5'-C4' 120.326 7.233 . 0.131 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.359 4 C1'-O4'-C4' 114.912 5.902 . 0.541 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.338 1 O5'-C5'-C4' 120.602 7.43 . 0.426 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.2 tttt . . . . . 0 CA--C 1.562 1.416 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -80.41 167.88 18.82 Favored 'Trans proline' 0 C--N 1.382 2.333 0 CA-C-O 125.312 2.13 . . . . 0.0 112.007 -168.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -41.74 -55.38 3.01 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 108.733 -3.848 . . . . 0.0 114.562 158.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -73.04 -14.08 61.34 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-O 114.941 -2.457 . . . . 0.0 113.384 -165.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 m -74.08 93.53 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-N 125.321 3.691 . . . . 0.0 109.0 -169.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -59.62 -15.34 18.29 Favored 'General case' 0 C--O 1.264 1.863 0 O-C-N 116.387 -3.945 . . . . 0.0 113.015 168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -148.95 151.76 35.16 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 118.742 -2.474 . . . . 0.0 109.318 171.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.9 163.22 20.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 127.097 2.748 . . . . 0.0 113.515 167.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.255 26.8 m -127.78 121.46 22.06 Favored Pre-proline 0 CA--C 1.567 1.612 0 O-C-N 119.386 -2.071 . . . . 0.0 109.598 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.29 -168.02 0.48 Allowed 'Trans proline' 0 CA--C 1.553 1.441 0 O-C-N 124.607 1.846 . . . . 0.0 116.127 170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.72 -38.71 85.99 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 128.554 2.742 . . . . 0.0 110.776 170.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.71 177.12 3.16 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-O 115.751 -2.071 . . . . 0.0 112.964 162.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.268 29.8 mt 57.83 -59.91 0.03 OUTLIER 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 120.347 3.462 . . . . 0.0 120.347 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.56 -52.81 49.62 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.251 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.33 -35.84 72.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 128.621 2.768 . . . . 0.0 117.514 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -62.1 -41.55 98.33 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.298 175.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.97 69.29 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.65 -2.119 . . . . 0.0 111.04 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.323 2.3 tm? -64.23 -51.06 65.49 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.056 2.662 . . . . 0.0 112.372 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -15.03 62.73 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-O 115.437 -2.22 . . . . 0.0 110.872 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.93 -36.11 62.16 Favored 'General case' 0 C--O 1.269 2.101 0 C-N-CA 127.005 2.122 . . . . 0.0 115.03 168.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -38.7 78.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 CA-C-O 115.27 -2.3 . . . . 0.0 108.492 171.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.33 -35.42 65.14 Favored 'General case' 0 C--O 1.26 1.626 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -83.33 -42.76 17.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.661 0 CA-C-O 124.432 2.063 . . . . 0.0 115.939 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.05 60.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.133 -1.604 . . . . 0.0 112.853 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -49.55 -36.44 23.59 Favored 'General case' 0 N--CA 1.523 3.202 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.26 -8.94 1.74 Allowed 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 p -96.03 -1.4 48.96 Favored 'General case' 0 N--CA 1.518 2.925 0 CA-C-N 119.993 1.269 . . . . 0.0 113.904 164.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.38 -144.93 4.03 Favored Glycine 0 C--N 1.378 2.894 0 C-N-CA 125.665 1.602 . . . . 0.0 112.899 -170.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -139.17 131.07 27.71 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 115.933 -1.984 . . . . 0.0 113.158 -170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -143.98 155.38 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.32 0 CA-C-O 125.686 2.66 . . . . 0.0 112.448 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -131.34 133.51 45.4 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.874 -2.391 . . . . 0.0 112.228 170.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 150.65 48.08 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.79 146.16 20.07 Favored Glycine 0 N--CA 1.516 3.999 0 C-N-CA 119.605 -1.283 . . . . 0.0 114.138 -165.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.337 23.9 m -72.28 -24.97 61.42 Favored 'General case' 0 N--CA 1.507 2.378 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -70.55 -45.1 66.1 Favored 'General case' 0 CA--C 1.58 2.101 0 CA-C-O 123.559 1.647 . . . . 0.0 112.09 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.79 -38.24 67.32 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 116.789 -3.695 . . . . 0.0 114.105 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.2 m -65.67 -43.48 89.21 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.676 -1.602 . . . . 0.0 114.003 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.0 m -58.6 -43.59 89.61 Favored 'General case' 0 N--CA 1.525 3.289 0 CA-C-O 115.348 -2.263 . . . . 0.0 110.502 173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -67.19 -37.34 83.5 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 121.822 2.101 . . . . 0.0 113.053 176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.92 88.37 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 124.342 1.026 . . . . 0.0 111.784 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.1 t -75.13 -33.48 28.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -75.47 -26.29 58.11 Favored 'General case' 1 CA--C 1.63 4.019 2 O-C-N 114.207 -5.308 . . . . 0.0 115.715 -175.44 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -61.44 -6.54 2.38 Favored 'General case' 0 CA--C 1.593 2.63 0 C-N-CA 128.98 2.912 . . . . 0.0 113.192 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -7.22 81.66 Favored Glycine 0 C--N 1.371 2.513 0 O-C-N 126.005 2.066 . . . . 0.0 117.34 145.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -139.93 41.63 1.97 Allowed 'General case' 0 CA--C 1.577 2.012 0 O-C-N 121.531 -0.982 . . . . 0.0 109.711 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . 0.324 . . -65.03 148.75 51.09 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 126.11 2.131 . . . . 0.0 111.264 176.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -93.29 -34.95 13.33 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -168.34 158.74 10.07 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.362 2.265 . . . . 0.0 106.136 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 151.72 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.104 0 C-N-CA 130.824 3.65 . . . . 0.0 111.006 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.7 mt -128.8 139.03 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.11 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.59 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.29 125.87 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.775 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 -175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.07 152.41 35.06 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 118.947 -2.346 . . . . 0.0 112.375 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -79.37 -43.22 23.88 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.82 26.85 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 126.952 2.101 . . . . 0.0 115.356 -170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -71.76 138.72 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.409 0 O-C-N 119.967 -1.708 . . . . 0.0 111.088 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -130.73 132.57 24.02 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-O 113.585 -3.102 . . . . 0.0 110.416 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 63' ' ' ILE . 12.6 Cg_exo -62.69 151.41 66.18 Favored 'Cis proline' 0 N--CA 1.402 -3.908 0 O-C-N 125.459 2.294 . . . . 0.0 110.149 -10.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.54 -27.74 66.36 Favored 'General case' 0 CA--C 1.604 3.053 0 CA-C-N 112.162 -2.29 . . . . 0.0 110.192 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -64.86 -29.28 70.22 Favored 'General case' 0 N--CA 1.539 3.987 0 O-C-N 119.143 -2.223 . . . . 0.0 111.336 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' PRO . 5.3 tt -60.21 -14.75 8.53 Favored 'Isoleucine or valine' 0 C--N 1.39 2.346 0 N-CA-C 117.998 2.592 . . . . 0.0 117.998 -176.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.2 m -118.08 -4.33 10.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 C-N-CA 125.076 1.351 . . . . 0.0 113.056 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.36 45.35 Favored 'General case' 0 CA--C 1.583 2.238 0 O-C-N 118.923 -2.361 . . . . 0.0 112.821 -173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -79.86 -25.34 40.74 Favored 'General case' 0 C--N 1.364 1.234 0 O-C-N 119.391 -2.068 . . . . 0.0 115.758 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.68 -36.34 14.07 Favored Pre-proline 0 C--O 1.26 1.61 0 CA-C-O 114.624 -2.607 . . . . 0.0 112.873 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -70.78 -51.55 0.29 Allowed 'Trans proline' 1 N--CA 1.551 4.896 0 CA-C-O 111.922 -3.449 . . . . 0.0 108.645 178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -62.94 -28.23 75.07 Favored 'Trans proline' 0 C--N 1.369 1.608 0 O-C-N 126.179 2.673 . . . . 0.0 112.751 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . 0.283 26.8 tp -64.66 -54.24 34.8 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 117.721 -3.112 . . . . 0.0 112.745 170.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.7 m -67.3 -20.12 65.58 Favored 'General case' 0 N--CA 1.425 -1.715 0 CA-C-O 114.061 -2.876 . . . . 0.0 113.406 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -67.67 -49.39 63.06 Favored 'General case' 0 C--N 1.27 -2.853 0 CA-C-N 123.068 2.667 . . . . 0.0 110.628 167.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -67.3 -23.84 65.7 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-O 117.015 -1.469 . . . . 0.0 113.903 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.297 41.6 mmtm -93.89 5.39 51.82 Favored 'General case' 0 C--O 1.153 -4.0 0 C-N-CA 127.767 2.427 . . . . 0.0 116.2 168.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 56.9 25.84 10.97 Favored 'General case' 0 N--CA 1.533 3.683 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.7 mm -91.95 138.11 24.9 Favored Pre-proline 0 C--N 1.396 2.609 0 O-C-N 121.197 -0.939 . . . . 0.0 110.738 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -66.98 129.43 20.69 Favored 'Trans proline' 0 C--O 1.292 3.202 1 C-N-CA 127.88 5.72 . . . . 0.0 111.843 173.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -129.1 152.9 48.2 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 125.969 2.795 . . . . 0.0 113.41 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -148.21 140.66 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.506 0 O-C-N 119.487 -2.008 . . . . 0.0 115.294 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -85.26 152.76 23.07 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 113.801 -3.0 . . . . 0.0 108.759 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.5 141.21 40.41 Favored Pre-proline 0 CA--C 1.477 -1.833 0 N-CA-C 119.84 3.274 . . . . 0.0 119.84 166.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -75.98 16.92 0.75 Allowed 'Trans proline' 1 CA--C 1.61 4.315 0 N-CA-C 119.992 3.036 . . . . 0.0 119.992 -172.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 t -156.1 123.29 5.37 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 120.203 1.365 . . . . 0.0 110.67 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -69.31 -28.66 66.45 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-O 125.649 2.642 . . . . 0.0 109.314 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -76.9 -43.6 35.04 Favored 'General case' 0 N--CA 1.414 -2.242 0 O-C-N 118.997 -2.315 . . . . 0.0 112.55 -167.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -74.13 -23.84 59.35 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 125.243 1.589 . . . . 0.0 111.977 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -72.47 -34.88 68.04 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.18 82.16 Favored Glycine 0 CA--C 1.551 2.295 0 O-C-N 119.02 -2.3 . . . . 0.0 110.187 165.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.96 61.21 Favored 'General case' 0 C--O 1.252 1.212 0 CA-C-O 121.876 0.846 . . . . 0.0 111.166 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.39 -34.9 78.24 Favored 'General case' 0 N--CA 1.513 2.675 0 O-C-N 118.789 -2.445 . . . . 0.0 113.684 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -15.08 60.58 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 124.694 1.197 . . . . 0.0 110.705 172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.69 11.78 58.83 Favored Glycine 0 C--O 1.266 2.131 0 CA-C-O 116.488 -2.284 . . . . 0.0 114.787 -175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.261 15.2 pt -106.52 161.18 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.245 0 CA-C-N 122.316 3.058 . . . . 0.0 110.858 -174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -105.61 4.96 30.83 Favored 'General case' 0 N--CA 1.523 3.217 0 O-C-N 125.571 1.794 . . . . 0.0 111.622 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.0 m -105.19 171.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 O-C-N 120.425 -1.422 . . . . 0.0 109.791 156.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.13 142.63 58.31 Favored 'General case' 0 C--O 1.173 -2.939 0 C-N-CA 126.831 2.053 . . . . 0.0 108.909 166.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.9 138.63 48.26 Favored 'General case' 1 N--CA 1.542 4.153 0 CA-C-O 124.091 1.901 . . . . 0.0 107.299 163.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.69 -21.22 20.12 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 125.391 1.476 . . . . 0.0 114.647 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -155.12 164.58 38.65 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 160.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.4 t -150.3 132.14 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 127.138 2.175 . . . . 0.0 114.02 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.85 145.35 47.71 Favored 'General case' 0 N--CA 1.509 2.522 0 CA-C-N 122.129 2.241 . . . . 0.0 116.036 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mm -95.18 116.29 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 C-N-CA 126.583 1.953 . . . . 0.0 112.412 175.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 103' ' ' ILE . 1.4 mp -90.08 -48.8 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 126.755 2.022 . . . . 0.0 112.113 175.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -137.5 117.17 10.25 Favored Pre-proline 0 C--O 1.276 2.468 0 C-N-CA 127.796 2.439 . . . . 0.0 114.175 160.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.67 8.98 0.22 Allowed 'Trans proline' 0 N--CA 1.504 2.105 0 N-CA-C 120.476 3.222 . . . . 0.0 120.476 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 58.16 -116.01 7.78 Favored Glycine 0 N--CA 1.492 2.373 0 CA-C-O 115.886 -2.619 . . . . 0.0 111.796 173.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.12 -27.93 63.94 Favored 'General case' 0 C--O 1.296 3.505 0 C-N-CA 126.849 2.059 . . . . 0.0 112.978 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 14.69 1.57 Allowed 'General case' 0 C--O 1.251 1.161 0 C-N-CA 127.77 2.428 . . . . 0.0 113.391 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -49.78 -54.48 18.81 Favored 'General case' 0 N--CA 1.519 2.984 0 CA-C-N 121.378 1.899 . . . . 0.0 110.626 -170.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -75.52 -25.82 57.55 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 117.431 2.382 . . . . 0.0 117.431 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.95 -45.67 93.8 Favored 'General case' 0 C--O 1.265 1.871 0 C-N-CA 128.726 2.811 . . . . 0.0 107.883 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 115' ' ' ILE . 90.0 t -72.56 -24.99 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 119.122 -2.236 . . . . 0.0 111.776 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -77.71 -41.76 36.76 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 126.319 1.848 . . . . 0.0 110.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -63.06 -44.47 95.74 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 125.001 1.438 . . . . 0.0 112.578 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 112' ' ' VAL 0.33 9.7 tp -62.16 -50.08 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 CA-C-N 114.242 -1.344 . . . . 0.0 114.396 178.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.77 -53.99 49.9 Favored 'General case' 1 N--CA 1.375 -4.21 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.743 173.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.5 mtm -59.43 -47.5 85.24 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 123.554 2.888 . . . . 0.0 111.914 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.72 -37.75 79.77 Favored 'General case' 0 CA--C 1.577 1.988 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 36.7 t -75.45 -38.63 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 C-N-CA 129.54 3.136 . . . . 0.0 110.488 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -53.88 -41.29 67.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.355 -1.465 . . . . 0.0 112.186 171.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.31 -54.65 41.2 Favored 'General case' 0 C--N 1.27 -2.866 0 O-C-N 118.879 -2.388 . . . . 0.0 111.719 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.323 4.4 pp -72.6 -23.14 60.91 Favored 'General case' 0 CA--C 1.598 2.798 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -171.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 60.2 ttm -62.55 -17.93 60.96 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 115.643 -2.122 . . . . 0.0 113.933 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt . . . . . 0 CA--C 1.589 2.458 0 O-C-N 126.764 2.54 . . . . 0.0 115.136 -176.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.597 6.914 0 O4'-C4'-C3' 110.66 3.686 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.55 1 O4'-C4'-C3' 112.367 4.905 . 0.435 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.662 4.609 3 P-O3'-C3' 130.981 9.4 . 0.348 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.588 6.045 1 O4'-C1'-N19 117.196 8.996 . 0.061 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.459 -5.872 2 N19-C1'-C2' 105.424 -4.985 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.4 -4.396 1 C3'-C2'-C1' 97.28 -4.689 . 0.263 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.388 -5.391 2 O4'-C1'-N19 115.199 6.999 . 0.237 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.419 3 C3'-C2'-C1' 106.827 5.918 . 0.592 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.578 5.245 4 C4'-C3'-C2' 95.458 -7.242 . 0.356 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.371 -4.31 1 O4'-C1'-N19 115.715 7.515 . 0.568 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.383 -5.842 2 O3'-P-O5' 95.275 -4.592 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.422 0 C3'-C2'-C1' 99.09 -2.677 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.363 -4.841 2 C3'-C2'-C1' 106.997 6.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.475 2 O5'-C5'-C4' 122.35 8.678 . 0.029 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.641 2 C4'-C3'-C2' 94.808 -7.892 . 0.638 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.349 -5.287 2 N19-C1'-C2' 103.639 -6.101 . 0.473 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.335 -6.558 2 C5'-C4'-O4' 118.596 6.711 . 0.268 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 5.81 2 C1'-O4'-C4' 115.14 6.155 . 0.201 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.622 8.58 3 C1'-O4'-C4' 103.017 -7.315 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.571 4.348 3 C3'-C2'-C1' 94.691 -7.566 . 0.182 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.516 -7.545 1 O5'-C5'-C4' 103.76 -4.6 . 0.108 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.596 6.541 1 C5'-C4'-O4' 117.744 6.103 . 0.687 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.464 6 C1'-O4'-C4' 118.678 10.087 . 0.226 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.25 44.9 tttm . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -65.8 166.15 21.19 Favored 'Trans proline' 0 CA--C 1.575 2.552 0 C-N-CA 123.421 2.747 . . . . 0.0 112.374 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -53.16 -29.71 33.08 Favored 'General case' 1 C--O 1.321 4.837 0 C-N-CA 129.759 3.224 . . . . 0.0 112.497 177.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -94.26 -12.22 28.6 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 116.051 -1.928 . . . . 0.0 112.68 -166.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.1 m -80.8 81.23 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 CA-C-N 122.875 2.58 . . . . 0.0 112.312 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.59 -7.82 29.38 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 124.344 2.021 . . . . 0.0 114.715 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -136.94 150.61 48.29 Favored 'General case' 0 C--O 1.296 3.536 0 O-C-N 116.783 -3.698 . . . . 0.0 110.908 153.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -104.38 150.04 24.85 Favored 'General case' 0 N--CA 1.512 2.635 0 C-N-CA 125.504 1.522 . . . . 0.0 110.899 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -114.23 145.45 33.69 Favored Pre-proline 0 N--CA 1.425 -1.697 0 CA-C-O 115.14 -2.362 . . . . 0.0 113.862 -159.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.07 -169.31 0.76 Allowed 'Trans proline' 1 N--CA 1.388 -4.723 1 C-N-CA 126.124 4.55 . . . . 0.0 108.727 173.803 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.25 -39.28 82.29 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 116.439 -3.913 . . . . 0.0 111.056 163.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.74 168.41 1.73 Allowed 'General case' 0 N--CA 1.514 2.733 0 CA-C-N 122.925 2.602 . . . . 0.0 111.074 164.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp 58.84 -48.1 0.06 Allowed 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.61 71.57 Favored 'General case' 0 CA--C 1.617 3.541 0 C-N-CA 124.845 1.258 . . . . 0.0 110.84 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -55.92 -58.94 5.76 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 128.936 2.894 . . . . 0.0 110.444 173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -53.9 -34.24 58.93 Favored 'General case' 0 C--O 1.276 2.483 0 C-N-CA 125.146 1.378 . . . . 0.0 114.047 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -51.79 66.54 Favored 'General case' 0 N--CA 1.51 2.531 0 C-N-CA 127.644 2.378 . . . . 0.0 110.811 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.59 -35.82 70.66 Favored 'General case' 0 C--O 1.177 -2.758 0 C-N-CA 113.693 -3.203 . . . . 0.0 108.353 -167.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -70.14 -22.33 63.0 Favored 'General case' 0 CA--C 1.577 1.985 0 O-C-N 120.216 -1.552 . . . . 0.0 115.032 172.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.94 -37.34 81.5 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 167.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.68 -41.2 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.756 166.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -64.49 -23.32 67.24 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.206 -2.808 . . . . 0.0 115.208 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mt -93.14 -46.52 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 125.514 1.759 . . . . 0.0 112.621 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.22 -33.73 42.49 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 115.926 -1.988 . . . . 0.0 111.033 173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.6 ttp85 -57.14 -41.32 78.87 Favored 'General case' 0 C--O 1.264 1.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.271 18.2 p30 -117.44 -3.99 11.34 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 116.017 -1.944 . . . . 0.0 111.232 -168.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.4 p -124.02 -1.71 8.26 Favored 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 116.061 -1.923 . . . . 0.0 110.546 172.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.13 -127.09 2.18 Favored Glycine 0 N--CA 1.486 2.019 0 CA-C-N 125.966 3.985 . . . . 0.0 109.113 175.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -136.43 136.96 39.96 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.616 1.967 . . . . 0.0 110.427 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 tp -131.25 163.16 37.83 Favored 'Isoleucine or valine' 0 C--O 1.276 2.452 0 C-N-CA 126.495 1.918 . . . . 0.0 108.928 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -144.48 136.61 26.23 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -125.79 133.5 52.0 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.505 2.098 . . . . 0.0 112.279 -156.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.29 160.11 28.95 Favored Glycine 1 N--CA 1.534 5.209 0 O-C-N 119.296 -2.128 . . . . 0.0 109.061 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.256 22.0 m -78.46 -19.92 52.08 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 118.166 2.654 . . . . 0.0 118.166 -166.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.62 -51.14 59.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 161.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.58 -28.33 60.88 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-O 115.578 -2.154 . . . . 0.0 112.394 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.1 m -65.56 -53.61 39.61 Favored 'General case' 0 N--CA 1.523 3.189 0 O-C-N 125.142 1.526 . . . . 0.0 111.049 166.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.5 m -56.16 -38.03 70.32 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 118.62 0.645 . . . . 0.0 109.903 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -75.36 -32.29 60.81 Favored 'General case' 0 CA--C 1.467 -2.234 1 O-C-N 116.206 -4.059 . . . . 0.0 111.139 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.59 84.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 123.643 2.928 . . . . 0.0 111.89 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.1 t -74.98 -51.84 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.777 176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.69 -51.71 38.79 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 123.671 2.941 . . . . 0.0 112.282 -170.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 HH22 ' P ' ' B' ' 3' ' ' ' U' . 99.5 mtt180 -62.96 -15.53 56.22 Favored 'General case' 0 N--CA 1.515 2.813 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -169.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -176.56 -132.96 1.71 Allowed Glycine 0 C--O 1.273 2.585 0 C-N-CA 127.325 2.393 . . . . 0.0 107.449 -167.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -121.61 89.32 3.1 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -173.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 154.22 9.22 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 125.462 1.505 . . . . 0.0 114.375 160.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.254 28.3 mmtp -99.53 -32.43 11.12 Favored 'General case' 0 N--CA 1.511 2.617 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 177.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.684 HD23 ' H ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -169.51 172.19 7.18 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 111.261 -2.699 . . . . 0.0 105.85 169.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.684 ' H ' HD23 ' A' ' 51' ' ' LEU . 14.2 p -149.8 136.61 12.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 C-N-CA 127.119 2.168 . . . . 0.0 114.273 175.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.83 131.89 60.78 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 1 C-N-CA 132.175 4.19 . . . . 0.0 115.974 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -128.29 138.13 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.43 156.25 27.98 Favored 'General case' 0 N--CA 1.489 1.492 1 O-C-N 113.205 -5.934 . . . . 0.0 113.154 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.44 -8.9 54.18 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 127.492 2.317 . . . . 0.0 114.597 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -112.98 20.47 16.35 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-N 120.209 1.368 . . . . 0.0 110.323 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.74 135.6 26.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 117.926 -2.984 . . . . 0.0 112.272 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -148.41 116.67 4.0 Favored Pre-proline 0 C--N 1.374 1.634 0 CA-C-N 121.809 2.095 . . . . 0.0 116.473 -171.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -58.33 143.68 26.64 Favored 'Cis proline' 0 N--CA 1.504 2.123 0 C-N-CA 132.033 2.097 . . . . 0.0 108.22 -3.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -59.25 -24.99 63.67 Favored 'General case' 0 CA--C 1.572 1.82 0 C-N-CA 127.55 2.34 . . . . 0.0 116.669 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -64.15 -24.19 67.59 Favored 'General case' 0 N--CA 1.428 -1.554 0 C-N-CA 128.91 2.884 . . . . 0.0 116.072 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 pt -77.27 6.18 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.603 3.008 0 O-C-N 118.915 -2.366 . . . . 0.0 114.567 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.04 -12.77 2.26 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.46 0 C-N-CA 130.295 3.438 . . . . 0.0 116.389 170.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.97 -12.85 2.23 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 127.501 2.32 . . . . 0.0 117.074 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -84.06 -15.2 48.33 Favored 'General case' 0 CA--C 1.57 1.73 0 C-N-CA 127.531 2.332 . . . . 0.0 112.293 172.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.0 -49.78 18.35 Favored Pre-proline 0 CA--C 1.602 2.977 0 O-C-N 125.3 1.625 . . . . 0.0 112.564 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -53.78 -48.15 23.33 Favored 'Trans proline' 0 C--N 1.384 2.44 0 N-CA-C 119.237 2.745 . . . . 0.0 119.237 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -57.31 -46.4 28.3 Favored 'Trans proline' 0 N--CA 1.5 1.879 0 CA-C-N 120.534 1.226 . . . . 0.0 114.096 169.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.06 -37.76 86.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 128.712 2.805 . . . . 0.0 110.639 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.325 60.9 m -56.84 -52.39 65.29 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 170.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.44 -32.23 73.73 Favored 'General case' 0 N--CA 1.533 3.722 1 O-C-N 116.098 -4.127 . . . . 0.0 111.64 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.78 -35.35 72.67 Favored 'General case' 0 C--O 1.264 1.834 0 C-N-CA 126.481 1.913 . . . . 0.0 113.429 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -94.83 -5.36 45.25 Favored 'General case' 0 N--CA 1.518 2.94 0 N-CA-C 117.826 2.528 . . . . 0.0 117.826 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 60.25 48.02 8.57 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 130.399 3.48 . . . . 0.0 114.885 -171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -118.99 131.82 24.19 Favored Pre-proline 0 C--N 1.39 2.335 0 O-C-N 117.458 -3.276 . . . . 0.0 110.917 -172.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.58 145.87 83.14 Favored 'Trans proline' 1 C--O 1.316 4.409 0 C-N-CA 124.682 3.588 . . . . 0.0 111.181 170.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -125.79 165.24 19.02 Favored 'General case' 0 C--O 1.194 -1.824 0 C-N-CA 126.013 1.725 . . . . 0.0 114.778 165.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -148.04 142.86 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 CA-C-N 120.604 1.547 . . . . 0.0 111.165 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -94.08 150.07 20.66 Favored 'General case' 0 CA--C 1.588 2.43 0 C-N-CA 125.071 1.348 . . . . 0.0 113.921 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.38 148.9 68.03 Favored Pre-proline 0 N--CA 1.507 2.423 0 C-N-CA 128.746 2.819 . . . . 0.0 111.507 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -68.91 -18.25 41.18 Favored 'Trans proline' 0 C--O 1.252 1.189 0 N-CA-C 119.49 2.842 . . . . 0.0 119.49 -164.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t -154.84 125.08 6.77 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.147 -1.882 . . . . 0.0 107.133 -164.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -59.64 -30.54 68.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.809 2.844 . . . . 0.0 110.037 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.49 -27.55 46.24 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 126.138 1.775 . . . . 0.0 112.499 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.58 -35.01 67.83 Favored 'General case' 0 N--CA 1.52 3.064 0 CA-C-N 123.25 2.75 . . . . 0.0 113.523 164.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.39 -41.56 76.3 Favored 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 125.014 2.34 . . . . 0.0 116.269 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.74 -51.91 41.73 Favored Glycine 0 CA--C 1.562 3.005 0 O-C-N 117.613 -3.18 . . . . 0.0 111.524 161.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.381 1.964 0 O-C-N 121.24 -1.153 . . . . 0.0 112.938 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.04 -42.12 65.44 Favored 'General case' 0 C--O 1.2 -1.505 0 C-N-CA 126.24 1.816 . . . . 0.0 113.531 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 2.31 19.74 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.46 3.43 84.24 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 114.699 -3.279 . . . . 0.0 115.643 177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 pt -104.28 140.21 23.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 CA-C-N 122.848 3.324 . . . . 0.0 110.414 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.01 -23.71 62.23 Favored 'General case' 0 C--O 1.262 1.722 0 O-C-N 116.337 -3.977 . . . . 0.0 114.819 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 m -77.14 -168.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 129.542 3.137 . . . . 0.0 108.954 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.02 161.54 22.93 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 116.672 -1.632 . . . . 0.0 113.15 165.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -135.0 119.6 18.16 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 123.111 2.687 . . . . 0.0 112.776 155.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -22.08 60.31 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.5 p -149.8 152.54 35.35 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 126.88 2.072 . . . . 0.0 111.146 166.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -145.83 146.32 19.45 Favored 'Isoleucine or valine' 0 C--O 1.256 1.428 0 C-N-CA 130.739 3.615 . . . . 0.0 112.373 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.31 147.15 49.77 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 125.156 1.535 . . . . 0.0 113.41 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.9 mm -94.96 117.78 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 128.446 2.698 . . . . 0.0 110.085 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.8 mp -108.3 -33.58 2.57 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.756 0 O-C-N 120.066 -1.646 . . . . 0.0 108.298 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -147.95 120.12 4.57 Favored Pre-proline 0 N--CA 1.492 1.655 0 C-N-CA 125.245 1.418 . . . . 0.0 108.048 167.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.41 -12.72 34.2 Favored 'Trans proline' 0 CA--C 1.586 3.108 0 C-N-CA 122.967 2.445 . . . . 0.0 115.49 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.41 -114.67 7.05 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.476 1.11 . . . . 0.0 114.084 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -76.31 -23.0 54.3 Favored 'General case' 0 N--CA 1.516 2.83 0 C-N-CA 128.671 2.788 . . . . 0.0 108.146 172.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.26 31.15 1.76 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 121.589 1.995 . . . . 0.0 111.75 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -64.67 -54.79 26.21 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 116.921 -3.612 . . . . 0.0 115.477 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.62 -26.63 67.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.354 -2.26 . . . . 0.0 112.406 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 tp -71.08 -41.83 70.17 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 126.359 2.287 . . . . 0.0 114.119 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -65.28 -32.09 56.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.736 0 CA-C-O 123.147 1.451 . . . . 0.0 110.74 165.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.87 -54.6 32.4 Favored 'General case' 0 N--CA 1.518 2.944 1 O-C-N 116.01 -4.181 . . . . 0.0 115.46 176.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -22.06 59.76 Favored 'General case' 0 N--CA 1.405 -2.686 0 O-C-N 118.547 -2.595 . . . . 0.0 116.859 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.7 tp -80.1 -27.19 12.03 Favored 'Isoleucine or valine' 0 C--O 1.273 2.311 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.579 168.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.53 74.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 172.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 66.4 mtt -63.87 -33.41 75.64 Favored 'General case' 0 CA--C 1.558 1.275 0 O-C-N 125.771 1.919 . . . . 0.0 113.772 168.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -71.9 -29.4 64.29 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 173.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.11 -47.47 31.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.025 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -47.57 -47.43 28.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 115.275 -2.298 . . . . 0.0 115.952 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.45 -10.29 59.61 Favored 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 116.51 -1.71 . . . . 0.0 112.454 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 82.3 mt -100.0 -31.05 11.64 Favored 'General case' 0 C--O 1.273 2.306 0 O-C-N 126.331 2.269 . . . . 0.0 113.62 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 10.3 mtm -80.32 75.79 7.13 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 116.917 -3.614 . . . . 0.0 109.369 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 22.4 ttpt . . . . . 0 CA--C 1.564 1.483 0 CA-C-O 123.544 1.64 . . . . 0.0 111.642 -163.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.576 4.797 1 C1'-O4'-C4' 113.668 4.52 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.466 ' P ' HH22 ' A' ' 46' ' ' ARG . . . . . . . . 1 P--O5' 1.547 -4.552 0 C1'-O4'-C4' 106.383 -3.574 . 0.655 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.308 2 C5'-C4'-C3' 105.496 -6.669 . 0.535 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.545 -5.201 4 O4'-C1'-N19 118.796 10.596 . 0.057 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.592 6.434 2 C5'-C4'-O4' 116.908 5.505 . 0.052 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.462 -6.577 2 C5'-C4'-O4' 118.998 6.998 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.387 -5.514 1 O5'-C5'-C4' 118.881 6.201 . 0.316 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.54 -5.556 3 C1'-O4'-C4' 104.798 -5.336 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.569 4.125 1 C4'-C3'-C2' 96.055 -6.645 . 0.497 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.524 -6.925 5 O4'-C1'-C2' 96.791 -6.863 . 0.201 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.656 1 O4'-C1'-N19 116.235 8.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . 0.454 " H2'" " O4'" ' B' ' 14' ' ' ' G' . . . . . . . . 2 O3'--C3' 1.483 4.28 2 C5'-C4'-O4' 117.54 5.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . 0.454 " O4'" " H2'" ' B' ' 13' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.603 7.183 3 C4'-C3'-C2' 96.023 -6.677 . 0.729 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.483 5.42 0 C3'-C2'-C1' 98.463 -3.374 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.399 1 C1'-O4'-C4' 113.753 4.615 . 0.476 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 4 C2'--O2' 1.513 7.672 2 O5'-C5'-C4' 120.206 7.147 . 0.386 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.519 4.932 1 C2'-C3'-O3' 122.936 4.263 . 0.192 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.849 1 O4'-C1'-N19 112.922 4.722 . 0.01 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.539 -5.413 2 C5'-C4'-C3' 106.149 -6.234 . 0.314 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.35 -5.615 0 C5'-C4'-O4' 114.783 3.988 . 0.463 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.529 -6.401 2 C4'-C3'-C2' 107.008 4.308 . 0.389 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.587 5.858 2 O4'-C1'-N19 116.011 7.811 . 0.336 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.352 -5.15 2 C3'-C2'-C1' 106.548 5.609 . 0.398 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.2 tttt . . . . . 0 C--O 1.252 1.203 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -98.92 164.54 0.61 Allowed 'Trans proline' 0 CA--C 1.578 2.707 1 C-N-CA 126.246 4.631 . . . . 0.0 115.738 171.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -61.17 -34.57 75.25 Favored 'General case' 0 C--O 1.252 1.197 0 C-N-CA 127.555 2.342 . . . . 0.0 113.399 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -79.18 -3.04 43.71 Favored 'General case' 0 C--O 1.291 3.281 1 N-CA-C 121.86 4.022 . . . . 0.0 121.86 -168.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.69 114.57 17.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 118.996 -1.081 . . . . 0.0 111.383 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.26 69.3 mmtt -99.03 -1.68 39.1 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.464 2.306 . . . . 0.0 116.93 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -155.51 145.62 21.64 Favored 'General case' 0 C--N 1.279 -2.47 2 O-C-N 115.999 -4.188 . . . . 0.0 103.594 166.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.4 157.6 23.64 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.852 1.345 . . . . 0.0 114.347 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.294 38.9 t -141.77 118.41 7.3 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 -164.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -78.28 -163.03 0.2 Allowed 'Trans proline' 0 N--CA 1.516 2.812 1 C-N-CA 126.435 4.757 . . . . 0.0 109.538 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -60.95 -37.57 82.83 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 123.541 1.639 . . . . 0.0 114.731 171.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.56 160.17 26.57 Favored 'General case' 0 C--N 1.283 -2.305 0 O-C-N 117.395 -3.316 . . . . 0.0 110.25 176.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.262 12.5 mt 63.97 -50.55 0.27 Allowed 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 125.456 1.503 . . . . 0.0 113.548 -162.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.07 96.13 Favored 'General case' 0 N--CA 1.512 2.635 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 171.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.45 -32.86 72.05 Favored 'General case' 0 C--O 1.261 1.709 1 O-C-N 130.124 4.64 . . . . 0.0 110.831 168.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -75.14 -28.43 60.16 Favored 'General case' 0 CA--C 1.601 2.926 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -30.98 32.89 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 124.681 1.193 . . . . 0.0 110.393 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -51.28 70.02 Favored 'General case' 0 N--CA 1.525 3.304 0 CA-C-N 122.105 2.23 . . . . 0.0 111.172 171.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.83 -23.38 61.53 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 115.805 -2.045 . . . . 0.0 110.394 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.23 71.04 Favored 'General case' 0 CA--C 1.567 1.598 0 CA-C-N 124.681 3.401 . . . . 0.0 113.634 168.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.3 -45.96 92.79 Favored 'Isoleucine or valine' 0 C--O 1.3 3.713 0 O-C-N 119.371 -2.08 . . . . 0.0 109.464 169.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.8 -49.01 59.45 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 118.429 -2.669 . . . . 0.0 116.705 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -70.76 -40.18 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.013 0 C-N-CA 126.363 1.865 . . . . 0.0 113.009 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.69 61.91 Favored 'General case' 0 CA--C 1.576 1.98 0 CA-C-N 125.415 3.734 . . . . 0.0 107.548 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -40.89 -56.84 2.13 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-N 122.469 2.395 . . . . 0.0 111.929 173.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 2.5 p30 -115.77 -23.12 8.8 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -164.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -95.27 -15.32 23.27 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 120.025 1.284 . . . . 0.0 110.931 171.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.89 -142.87 5.45 Favored Glycine 1 C--N 1.403 4.285 0 CA-C-O 117.605 -1.664 . . . . 0.0 115.97 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -126.72 140.1 52.64 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.402 1.631 . . . . 0.0 115.402 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -150.32 155.71 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.659 0 O-C-N 119.246 -2.159 . . . . 0.0 107.292 -162.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -135.99 152.96 51.48 Favored 'General case' 0 N--CA 1.528 3.44 0 CA-C-O 122.426 1.108 . . . . 0.0 109.617 166.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 149.41 32.67 Favored 'General case' 0 N--CA 1.527 3.393 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -168.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.57 156.17 24.37 Favored Glycine 0 C--N 1.366 2.24 0 O-C-N 125.7 1.875 . . . . 0.0 112.204 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 m -63.84 -45.66 88.52 Favored 'General case' 0 C--N 1.391 2.378 0 O-C-N 118.861 -2.552 . . . . 0.0 112.216 -168.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.01 -52.6 64.69 Favored 'General case' 0 C--O 1.194 -1.859 0 O-C-N 119.594 -1.942 . . . . 0.0 113.807 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.45 -31.16 70.28 Favored 'General case' 0 C--O 1.182 -2.479 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -172.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.7 m -57.98 -47.36 83.22 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 117.548 -3.22 . . . . 0.0 116.149 171.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.5 m -75.8 -42.16 50.74 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.903 2.627 . . . . 0.0 110.103 -170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -68.5 -22.11 64.56 Favored 'General case' 0 C--O 1.262 1.763 0 CA-C-O 116.104 -1.903 . . . . 0.0 112.275 169.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . 0.305 . . -67.49 -56.52 9.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 124.035 3.107 . . . . 0.0 117.044 162.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.45 -47.71 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.22 -27.24 67.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 120.474 -1.391 . . . . 0.0 113.005 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -58.43 -44.09 88.97 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.232 -1.543 . . . . 0.0 110.689 -159.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.56 -62.28 0.08 OUTLIER Glycine 0 N--CA 1.51 3.588 0 C-N-CA 119.238 -1.458 . . . . 0.0 111.019 -170.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -160.71 105.22 1.4 Allowed 'General case' 1 N--CA 1.549 4.521 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 172.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.69 134.37 40.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 127.427 2.291 . . . . 0.0 111.743 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -67.68 -31.21 71.02 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 119.594 3.183 . . . . 0.0 119.594 169.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -166.83 159.92 14.09 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 173.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.45 142.03 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.72 0 C-N-CA 126.172 1.789 . . . . 0.0 112.891 163.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.8 mt -126.39 135.8 62.71 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.213 0 C-N-CA 125.853 1.661 . . . . 0.0 106.799 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 74.9 mt -128.81 143.96 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.371 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.585 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.17 172.93 12.82 Favored 'General case' 0 C--O 1.262 1.753 0 CA-C-O 116.16 -1.876 . . . . 0.0 115.036 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -122.2 44.47 2.59 Favored 'General case' 0 CA--C 1.6 2.903 0 CA-C-N 122.384 2.356 . . . . 0.0 114.642 173.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.56 6.92 0.65 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 120.853 1.661 . . . . 0.0 108.016 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -54.01 136.44 15.64 Favored 'Isoleucine or valine' 0 C--O 1.295 3.46 0 C-N-CA 130.487 3.515 . . . . 0.0 111.585 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -157.78 118.48 1.97 Allowed Pre-proline 0 N--CA 1.417 -2.121 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -67.5 118.13 2.66 Favored 'Cis proline' 0 N--CA 1.433 -2.062 0 O-C-N 118.302 -1.473 . . . . 0.0 113.096 -3.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.22 -24.81 7.83 Favored 'General case' 0 C--O 1.163 -3.45 0 O-C-N 128.131 3.394 . . . . 0.0 114.525 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.99 -13.22 61.66 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 118.283 -2.761 . . . . 0.0 117.221 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.7 tt -65.76 -21.77 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-O 114.626 -2.607 . . . . 0.0 112.537 171.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.91 -4.68 11.35 Favored 'Isoleucine or valine' 0 C--O 1.287 3.029 0 CA-C-N 122.257 2.299 . . . . 0.0 116.07 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.23 -15.22 63.33 Favored 'General case' 0 N--CA 1.423 -1.795 0 C-N-CA 129.844 3.258 . . . . 0.0 116.629 -166.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -78.76 -18.29 54.42 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 115.94 -1.981 . . . . 0.0 113.937 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.8 mt -70.19 -42.56 16.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 CA-C-O 115.892 -2.004 . . . . 0.0 112.818 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.37 -47.07 8.38 Favored 'Trans proline' 0 C--N 1.382 2.31 0 CA-C-N 123.024 2.116 . . . . 0.0 111.265 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.58 -28.24 69.83 Favored 'Trans proline' 0 CA--C 1.551 1.343 0 C-N-CA 123.721 2.947 . . . . 0.0 113.262 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.3 tp -77.9 -33.2 52.01 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 117.82 -1.552 . . . . 0.0 107.792 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.7 m -64.6 -29.98 71.0 Favored 'General case' 0 CA--C 1.485 -1.542 0 O-C-N 119.926 -1.734 . . . . 0.0 115.389 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -69.78 -34.57 73.94 Favored 'General case' 0 CA--C 1.561 1.368 0 O-C-N 120.399 -1.438 . . . . 0.0 109.264 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -75.66 -48.37 22.39 Favored 'General case' 0 C--O 1.298 3.619 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 -175.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -83.87 -1.37 54.31 Favored 'General case' 0 C--O 1.267 2.002 0 CA-C-O 115.853 -2.022 . . . . 0.0 112.78 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 64.68 42.72 4.56 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 128.323 2.649 . . . . 0.0 113.517 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.261 38.6 mm -113.85 140.97 25.4 Favored Pre-proline 0 CA--C 1.592 2.578 1 O-C-N 115.832 -4.292 . . . . 0.0 110.448 -171.696 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -80.29 154.41 21.72 Favored 'Trans proline' 0 C--O 1.256 1.408 0 C-N-CA 123.222 2.614 . . . . 0.0 109.574 -172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -142.7 151.85 41.77 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 120.339 1.427 . . . . 0.0 110.422 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.5 tt -146.15 163.32 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 124.663 2.173 . . . . 0.0 109.419 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -112.4 133.13 54.66 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 127.816 2.446 . . . . 0.0 113.663 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.81 166.35 20.63 Favored Pre-proline 0 N--CA 1.536 3.843 0 CA-C-N 119.898 1.226 . . . . 0.0 112.445 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -60.89 -49.14 8.92 Favored 'Trans proline' 0 N--CA 1.428 -2.324 0 C-N-CA 125.254 3.969 . . . . 0.0 120.037 -165.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -145.49 162.62 36.95 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 121.697 3.962 . . . . 0.0 121.697 172.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -78.4 -15.86 58.23 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.592 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 85' ' ' LYS . 16.6 tptp -64.33 -52.53 57.94 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 120.416 1.462 . . . . 0.0 108.491 166.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -71.2 -44.3 65.68 Favored 'General case' 0 C--O 1.263 1.811 0 CA-C-O 114.72 -2.562 . . . . 0.0 111.037 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.0 tp -64.19 -35.74 81.8 Favored 'General case' 0 C--O 1.201 -1.453 0 CA-C-N 122.663 2.483 . . . . 0.0 112.205 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.86 -52.95 41.0 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 120.946 1.703 . . . . 0.0 109.921 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.97 75.23 Favored 'General case' 0 CA--C 1.585 2.326 0 C-N-CA 119.285 -0.966 . . . . 0.0 110.166 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.0 -30.92 60.51 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.658 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.08 59.91 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.617 1.553 . . . . 0.0 114.723 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.44 16.0 38.78 Favored Glycine 0 C--N 1.387 3.415 0 CA-C-N 120.6 1.546 . . . . 0.0 115.156 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.5 pt -115.45 155.17 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -73.34 -35.58 66.03 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.002 -1.687 . . . . 0.0 113.777 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 m -82.76 170.81 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.631 -1.293 . . . . 0.0 108.499 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.2 160.14 29.74 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 172.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . 0.317 . . -131.61 119.97 22.19 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 109.894 -3.321 . . . . 0.0 110.267 167.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.88 65.87 Favored 'General case' 0 CA--C 1.564 1.51 0 O-C-N 117.968 -2.958 . . . . 0.0 110.555 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.7 p -156.3 160.54 39.83 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 128.4 2.68 . . . . 0.0 112.779 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.9 t -148.64 147.13 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.394 0 C-N-CA 127.92 2.488 . . . . 0.0 104.432 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.37 142.23 50.02 Favored 'General case' 0 C--O 1.276 2.46 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.796 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.7 mt -92.4 115.66 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.363 0 CA-C-O 124.75 2.214 . . . . 0.0 109.392 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.38 -42.79 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.056 0 O-C-N 116.527 -3.858 . . . . 0.0 103.721 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.29 131.67 7.84 Favored Pre-proline 0 N--CA 1.484 1.259 0 CA-C-N 124.396 3.271 . . . . 0.0 103.1 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -60.01 -19.1 54.08 Favored 'Trans proline' 0 C--N 1.407 3.611 0 C-N-CA 121.84 1.693 . . . . 0.0 115.206 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.63 -131.56 19.16 Favored Glycine 0 C--N 1.359 1.839 0 CA-C-O 123.632 1.684 . . . . 0.0 115.711 -162.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -59.28 -34.37 72.19 Favored 'General case' 0 CA--C 1.594 2.649 0 C-N-CA 126.184 1.794 . . . . 0.0 110.118 167.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.65 18.43 0.1 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 118.941 2.941 . . . . 0.0 118.941 -168.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.22 -42.46 69.82 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -67.33 -41.84 84.58 Favored 'General case' 0 C--O 1.204 -1.33 0 O-C-N 126.81 2.569 . . . . 0.0 108.403 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.74 -36.54 84.63 Favored 'General case' 0 C--N 1.374 1.669 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.86 -30.48 24.16 Favored 'Isoleucine or valine' 0 C--N 1.402 2.849 0 CA-C-O 116.835 -1.555 . . . . 0.0 112.921 172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -80.34 -44.01 20.2 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 122.235 2.289 . . . . 0.0 105.491 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 N--CA 1.537 3.876 0 O-C-N 118.638 -2.539 . . . . 0.0 114.801 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.55 -37.13 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-N 122.725 2.511 . . . . 0.0 111.782 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.36 -33.59 76.31 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.858 -2.401 . . . . 0.0 113.539 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 58.5 mtt -57.09 -46.09 82.84 Favored 'General case' 0 CA--C 1.596 2.738 0 CA-C-O 124.994 2.33 . . . . 0.0 117.186 164.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -74.82 -36.32 62.44 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 127.554 2.342 . . . . 0.0 112.373 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.76 -53.49 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 130.888 3.675 . . . . 0.0 113.504 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . 0.383 11.9 tmtt? -46.9 -41.8 16.5 Favored 'General case' 0 N--CA 1.522 3.171 0 CA-C-N 113.951 -1.477 . . . . 0.0 114.442 173.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -82.09 -13.66 56.95 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 129.457 3.103 . . . . 0.0 112.608 -168.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.54 -12.35 9.33 Favored 'General case' 1 N--CA 1.542 4.143 0 CA-C-O 115.796 -2.05 . . . . 0.0 112.846 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 55.5 ttm -70.35 -29.66 66.4 Favored 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 114.871 -2.49 . . . . 0.0 115.413 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--O 1.259 1.58 0 CA-C-N 123.844 3.02 . . . . 0.0 114.524 166.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.068 1 C5'-C4'-O4' 117.339 5.814 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 6.85 1 C5'-C4'-O4' 116.093 4.924 . 0.795 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.471 4.768 5 C3'-C2'-C1' 111.253 10.837 . 0.693 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.613 8.029 2 O4'-C1'-N19 115.336 7.136 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 C4'-C3'-C2' 97.583 -5.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.496 -9.655 0 O4'-C1'-N19 111.26 3.06 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 6.3 3 C4'-C3'-C2' 95.281 -7.419 . 0.584 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.109 1 O4'-C1'-N19 112.676 4.476 . 0.639 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.557 1 C3'-C2'-C1' 97.895 -4.006 . 0.035 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.47 3.369 2 O4'-C1'-N19 115.795 7.595 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.53 -6.449 4 C3'-C2'-C1' 106.491 5.546 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.43 -6.123 2 O4'-C1'-N19 113.403 5.203 . 0.44 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.489 6.213 1 C5'-C4'-O4' 115.606 4.576 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.59 5.914 1 C4'-C3'-C2' 94.988 -7.712 . 0.814 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.481 -4.717 3 O4'-C1'-N19 113.481 5.281 . 0.199 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.164 0 C5'-C4'-O4' 113.757 3.255 . 0.356 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.474 3.658 1 N19-C1'-C2' 105.377 -5.014 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.543 -4.993 0 O5'-C5'-C4' 104.62 -3.986 . 0.261 7r . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.897 3 P-O3'-C3' 125.964 5.22 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.644 5.14 6 O4'-C1'-N19 99.679 -8.521 . 0.043 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.587 5.761 2 C4'-C3'-C2' 93.124 -9.576 . 0.313 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.59 6.248 6 O4'-C1'-N19 114.309 6.109 . 0.293 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.393 0 C5'-C4'-C3' 109.709 -3.86 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.308 79.9 tttt . . . . . 0 CA--C 1.447 -2.992 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -85.02 168.61 10.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 123.343 1.18 . . . . 0.0 113.025 -172.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -78.98 -30.7 44.57 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 126.64 1.976 . . . . 0.0 112.53 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 9.0 p90 -58.46 -28.86 65.72 Favored 'General case' 0 C--N 1.289 -2.046 0 CA-C-O 117.139 -1.41 . . . . 0.0 113.878 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.52 127.12 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 123.941 3.064 . . . . 0.0 111.471 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HE3' ' HA ' ' A' ' 9' ' ' LYS 0.256 0.0 OUTLIER -100.44 -8.56 23.08 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 123.79 1.757 . . . . 0.0 115.681 177.533 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -157.82 162.23 38.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 118.807 -2.433 . . . . 0.0 109.354 175.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 157.8 16.39 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.544 1.537 . . . . 0.0 115.121 167.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -136.02 131.64 18.95 Favored Pre-proline 0 C--N 1.359 1.019 0 C-N-CA 127.997 2.519 . . . . 0.0 107.375 -172.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.45 -168.7 0.56 Allowed 'Trans proline' 0 C--N 1.363 1.341 1 C-N-CA 125.489 4.126 . . . . 0.0 106.667 172.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -69.13 -30.79 69.12 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.43 156.43 37.89 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 159.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mp 63.04 -52.69 0.19 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -159.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.8 98.5 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 117.777 -3.077 . . . . 0.0 113.535 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -35.87 69.31 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.249 -1.532 . . . . 0.0 110.229 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -67.84 -38.11 82.75 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 113.257 -3.258 . . . . 0.0 110.404 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.84 97.58 Favored 'General case' 0 C--O 1.265 1.89 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 168.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.98 -49.12 73.73 Favored 'General case' 0 C--N 1.267 -2.997 0 CA-C-N 113.388 -1.733 . . . . 0.0 107.701 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -68.23 -20.25 64.8 Favored 'General case' 0 C--O 1.189 -2.09 0 O-C-N 118.588 -2.57 . . . . 0.0 116.245 167.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.85 73.2 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-O 117.4 -1.286 . . . . 0.0 113.934 167.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.6 t -76.72 -40.51 32.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 114.688 -2.577 . . . . 0.0 111.076 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.269 6.1 mt-10 -58.14 -16.07 11.97 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 127.673 3.108 . . . . 0.0 117.023 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.1 mt -109.64 -33.92 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 125.314 1.634 . . . . 0.0 110.77 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.63 69.49 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 122.742 1.258 . . . . 0.0 113.232 172.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -50.57 -37.99 42.8 Favored 'General case' 0 C--N 1.399 2.728 0 CA-C-N 113.308 -1.769 . . . . 0.0 113.501 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -128.75 -24.29 3.0 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 116.531 -1.699 . . . . 0.0 109.66 -164.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -98.42 -4.53 34.46 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 120.113 1.324 . . . . 0.0 112.453 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.64 -141.43 3.58 Favored Glycine 0 N--CA 1.506 3.312 0 C-N-CA 124.427 1.013 . . . . 0.0 115.485 -166.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -140.84 128.83 21.96 Favored 'General case' 0 CA--C 1.585 2.306 0 O-C-N 119.805 -1.997 . . . . 0.0 111.031 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 tp -130.56 145.66 35.22 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 1 C-N-CA 133.299 4.64 . . . . 0.0 108.561 -169.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -123.59 140.6 52.84 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.47 156.04 49.29 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 125.537 1.773 . . . . 0.0 107.538 -175.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.5 161.84 37.65 Favored Glycine 0 CA--C 1.57 3.517 0 N-CA-C 108.706 -1.758 . . . . 0.0 108.706 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -81.48 -43.67 18.51 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 118.684 -2.657 . . . . 0.0 110.109 -168.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -63.26 -50.66 69.3 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.143 -2.223 . . . . 0.0 109.586 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.16 -38.05 85.09 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.5 m -59.0 -46.31 88.48 Favored 'General case' 0 C--O 1.266 1.972 0 CA-C-O 116.364 -1.779 . . . . 0.0 111.91 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.8 m -64.21 -37.64 88.21 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.143 1.527 . . . . 0.0 114.675 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.08 -34.82 79.33 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 119.27 -2.144 . . . . 0.0 110.643 171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.37 -41.85 38.67 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 115.258 -2.306 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.96 -28.09 26.01 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.81 0 C-N-CA 117.991 -1.484 . . . . 0.0 113.68 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -69.07 -22.44 64.01 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 117.9 -3.0 . . . . 0.0 115.041 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.64 HH22 ' P ' ' B' ' 3' ' ' ' U' . 65.6 mtt180 -80.12 36.87 0.36 Allowed 'General case' 0 C--N 1.358 0.973 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 172.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -25.39 2.0 Favored Glycine 1 N--CA 1.524 4.566 0 O-C-N 119.356 -2.09 . . . . 0.0 116.75 160.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -145.24 133.44 21.61 Favored 'General case' 0 C--O 1.17 -3.093 0 C-N-CA 125.866 1.666 . . . . 0.0 110.827 -170.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.19 -174.83 5.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 119.022 -2.299 . . . . 0.0 107.829 168.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -116.23 -58.04 2.14 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.548 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 tt -155.55 164.9 38.04 Favored 'General case' 0 C--O 1.263 1.803 0 O-C-N 124.967 1.417 . . . . 0.0 109.696 173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -140.66 150.39 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.52 0 CA-C-O 124.487 2.089 . . . . 0.0 109.618 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.8 mt -132.04 147.34 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-O 123.852 1.787 . . . . 0.0 108.544 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD13 HG21 ' A' ' 54' ' ' ILE . 97.0 mt -136.17 144.68 32.46 Favored 'Isoleucine or valine' 0 C--N 1.383 2.059 0 O-C-N 116.683 -3.761 . . . . 0.0 104.678 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.66 149.92 24.98 Favored 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 113.607 -1.633 . . . . 0.0 106.882 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -85.6 -14.11 46.7 Favored 'General case' 0 C--O 1.25 1.089 0 CA-C-O 126.742 3.163 . . . . 0.0 117.783 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -107.49 26.12 10.63 Favored 'General case' 0 N--CA 1.485 1.305 1 O-C-N 112.269 -6.519 . . . . 0.0 114.866 -177.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.66 134.03 30.83 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.298 0 CA-C-O 127.686 3.612 . . . . 0.0 105.705 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -136.94 120.43 11.98 Favored Pre-proline 0 C--N 1.368 1.405 0 O-C-N 117.62 -3.175 . . . . 0.0 107.97 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.96 138.69 43.28 Favored 'Cis proline' 0 C--O 1.2 -1.416 0 CA-C-N 122.266 1.845 . . . . 0.0 116.593 -0.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.8 -22.76 10.23 Favored 'General case' 0 N--CA 1.513 2.718 0 CA-C-O 116.114 -1.898 . . . . 0.0 111.412 -161.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -61.05 -27.12 68.11 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.88 0.07 2.49 Favored 'Isoleucine or valine' 1 CA--C 1.635 4.24 0 O-C-N 117.547 -3.221 . . . . 0.0 111.992 -164.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 m -127.36 -2.84 4.17 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.638 0 CA-C-O 114.015 -2.897 . . . . 0.0 108.244 170.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -18.69 62.61 Favored 'General case' 0 N--CA 1.51 2.533 0 CA-C-N 120.977 1.717 . . . . 0.0 113.7 -172.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -82.31 -19.48 39.32 Favored 'General case' 0 CA--C 1.462 -2.418 0 C-N-CA 125.003 1.321 . . . . 0.0 109.771 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.74 -44.54 12.08 Favored Pre-proline 0 CA--C 1.581 2.161 0 CA-C-O 112.993 -3.384 . . . . 0.0 112.65 -176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -64.49 -53.97 0.91 Allowed 'Trans proline' 0 C--N 1.37 1.703 0 CA-C-N 125.276 2.92 . . . . 0.0 110.106 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.91 -37.3 85.45 Favored 'Trans proline' 0 CA--C 1.572 2.385 1 C-N-CA 125.539 4.16 . . . . 0.0 109.155 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.1 tp -72.19 -38.63 69.04 Favored 'General case' 0 C--O 1.262 1.742 1 O-C-N 115.501 -4.5 . . . . 0.0 110.456 176.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 88.1 m -68.08 -32.54 72.95 Favored 'General case' 0 N--CA 1.409 -2.523 0 O-C-N 118.703 -2.498 . . . . 0.0 113.297 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.34 -41.03 81.33 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 123.288 1.518 . . . . 0.0 111.334 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -74.86 -30.39 61.32 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 117.627 -3.17 . . . . 0.0 113.867 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -85.11 -9.88 57.43 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.786 3.179 . . . . 0.0 114.775 166.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.382 3.4 mt-10 64.63 43.12 4.43 Favored 'General case' 0 CA--C 1.599 2.854 0 C-N-CA 126.538 1.935 . . . . 0.0 111.03 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.41 132.05 21.25 Favored Pre-proline 0 CA--C 1.589 2.448 0 O-C-N 116.721 -3.737 . . . . 0.0 111.973 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -73.64 130.2 14.51 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 O-C-N 125.844 2.497 . . . . 0.0 113.944 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -119.42 156.3 30.41 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 126.418 1.887 . . . . 0.0 108.875 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.4 tt -140.75 156.25 22.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.907 0 CA-C-N 112.497 -2.138 . . . . 0.0 116.579 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -106.69 149.61 27.1 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 116.94 -1.505 . . . . 0.0 113.281 173.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.8 m -129.78 146.71 62.42 Favored Pre-proline 0 N--CA 1.529 3.485 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.373 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -66.57 -3.48 9.19 Favored 'Trans proline' 0 N--CA 1.51 2.454 0 N-CA-C 119.691 2.92 . . . . 0.0 119.691 -173.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -153.83 125.26 7.53 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-N 122.16 2.254 . . . . 0.0 111.539 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -70.48 -23.52 62.7 Favored 'General case' 0 CA--C 1.58 2.119 0 O-C-N 125.75 1.906 . . . . 0.0 110.034 175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -81.77 -47.44 12.88 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.33 77.85 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 125.456 1.723 . . . . 0.0 114.458 173.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.23 -35.86 82.37 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.41 94.18 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 112.047 -2.342 . . . . 0.0 116.291 167.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.1 -35.05 79.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 126.432 1.901 . . . . 0.0 111.801 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.64 -42.32 86.89 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 114.035 -2.888 . . . . 0.0 107.226 173.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.75 1.27 7.13 Favored 'General case' 0 N--CA 1.517 2.876 0 CA-C-N 122.77 2.532 . . . . 0.0 112.478 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.33 85.56 Favored Glycine 1 N--CA 1.532 5.099 1 O-C-N 114.963 -4.836 . . . . 0.0 112.275 173.991 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.318 47.0 pt -99.11 155.8 3.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 121.593 2.696 . . . . 0.0 109.399 172.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . 0.263 48.7 tp10 -90.28 -22.85 21.38 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-O 116.134 -1.889 . . . . 0.0 108.248 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 m -86.42 161.62 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.964 0 CA-C-N 123.66 2.936 . . . . 0.0 111.814 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 157.52 25.77 Favored 'General case' 0 CA--C 1.57 1.737 1 O-C-N 115.619 -4.426 . . . . 0.0 114.862 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.7 111.58 15.74 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.79 2.436 . . . . 0.0 112.631 166.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.13 -25.01 65.98 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 126.813 2.045 . . . . 0.0 111.264 163.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -149.18 153.88 38.32 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 119.745 1.157 . . . . 0.0 112.829 175.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.89 147.93 21.17 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.22 0 O-C-N 119.132 -2.23 . . . . 0.0 111.781 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.25 47.66 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mm -77.27 120.05 26.99 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 C-N-CA 124.658 1.183 . . . . 0.0 111.082 166.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.349 1.7 mp -99.84 -44.33 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 125.796 1.935 . . . . 0.0 113.888 170.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -140.66 115.11 7.36 Favored Pre-proline 0 C--N 1.383 2.045 0 C-N-CA 125.229 1.411 . . . . 0.0 109.56 166.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -56.75 -22.66 45.81 Favored 'Trans proline' 0 C--N 1.389 2.701 1 C-N-CA 127.153 5.235 . . . . 0.0 119.47 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.11 -120.98 8.14 Favored Glycine 1 CA--C 1.627 7.048 0 N-CA-C 104.421 -3.472 . . . . 0.0 104.421 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.72 -19.06 64.34 Favored 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 125.489 1.516 . . . . 0.0 110.994 172.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 14.89 8.01 Favored 'General case' 0 C--N 1.393 2.473 0 O-C-N 119.874 -1.766 . . . . 0.0 115.429 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.5 mtm105 -41.93 -52.57 4.08 Favored 'General case' 0 N--CA 1.532 3.658 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.59 -17.59 41.16 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 115.666 -2.112 . . . . 0.0 112.486 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.8 tp -77.32 -41.06 42.03 Favored 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 125.599 1.812 . . . . 0.0 111.163 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.64 -35.65 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 O-C-N 120.821 -1.174 . . . . 0.0 110.537 174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -56.55 -47.8 78.69 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 164.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.422 0.0 OUTLIER -73.34 -34.26 65.54 Favored 'General case' 0 C--O 1.266 1.922 1 O-C-N 115.178 -4.701 . . . . 0.0 112.024 -173.768 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.0 tt -75.27 -33.06 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.715 0 O-C-N 117.215 -3.428 . . . . 0.0 110.477 168.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.99 -49.97 70.17 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 118.985 -2.322 . . . . 0.0 114.201 170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 76.2 mtm -60.85 -43.91 97.69 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.369 1.455 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.0 t -68.96 -36.3 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.124 0 C-N-CA 124.726 1.21 . . . . 0.0 110.759 167.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -57.31 -35.49 69.91 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 170.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.18 -37.64 53.28 Favored 'General case' 0 C--N 1.277 -2.55 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.05 -37.61 64.24 Favored 'General case' 0 CA--C 1.57 1.712 0 O-C-N 125.954 2.034 . . . . 0.0 112.61 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . 0.25 15.7 ttm -78.43 36.37 0.25 Allowed 'General case' 0 C--O 1.275 2.444 0 C-N-CA 126.674 1.99 . . . . 0.0 116.012 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 CA--C 1.571 1.765 0 O-C-N 120.265 -1.522 . . . . 0.0 114.421 -163.426 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.48 5.177 3 O4'-C1'-N19 114.403 6.203 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.64 ' P ' HH22 ' A' ' 46' ' ' ARG . . . . . . . . 2 P--O5' 1.537 -5.605 4 C4'-C3'-C2' 95.909 -6.791 . 0.193 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.475 5.103 3 O4'-C1'-C2' 97.634 -6.261 . 0.474 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.466 4.293 3 O4'-C1'-N19 100.688 -7.512 . 0.221 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.56 3 C1'-O4'-C4' 117.918 9.242 . 0.717 0i . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.587 5.763 3 C5'-C4'-C3' 104.683 -7.211 . 0.56 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 9' ' ' ' C' . . . . . . . . 2 O4'--C1' 1.477 5.268 2 C4'-C3'-C2' 106.945 4.245 . 0.623 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 3 C2'--C1' 1.603 7.522 2 O4'-C1'-N19 116.127 7.927 . 0.755 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.529 -6.435 3 P-O5'-C5' 128.268 4.605 . 0.01 5p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.5 7.171 4 P-O3'-C3' 125.9 5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.528 -6.571 2 C3'-C2'-C1' 106.578 5.642 . 0.375 1g . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 4.648 4 C3'-C2'-C1' 108.838 8.153 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.866 2 C5'-C4'-O4' 115.264 4.331 . 0.073 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.665 7.187 3 O4'-C1'-N19 114.516 6.316 . 0.695 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.54 -5.593 2 C5'-C4'-O4' 117.473 5.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 6.311 3 O4'-C1'-N19 117.045 8.845 . 0.845 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.531 -6.164 2 O4'-C1'-N19 117.487 9.287 . 0.47 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.175 2 C5'-C4'-O4' 119.085 7.061 . 0.138 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.609 7.769 1 C5'-C4'-C3' 107.009 -5.66 . 0.326 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.466 -5.343 5 C3'-C2'-C1' 106.649 5.721 . 0.281 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.528 -6.481 3 C3'-C2'-C1' 106.856 5.951 . 0.549 0a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.379 -6.203 0 C4'-C3'-C2' 98.857 -3.843 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.345 -5.237 3 O3'-P-O5' 116.286 6.467 . 0.307 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 pttp . . . . . 0 C--O 1.245 0.824 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -74.58 -179.66 5.07 Favored 'Trans proline' 0 CA--C 1.565 2.061 0 CA-C-N 123.589 2.318 . . . . 0.0 114.224 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -83.74 -25.18 30.76 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 120.877 3.658 . . . . 0.0 120.877 164.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -73.09 -9.46 58.75 Favored 'General case' 0 C--O 1.202 -1.418 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.8 m -78.02 87.86 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.008 1.861 . . . . 0.0 113.135 173.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.81 -11.68 29.16 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -151.09 158.95 44.7 Favored 'General case' 0 C--O 1.19 -2.035 0 C-N-CA 125.349 1.46 . . . . 0.0 111.856 171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -89.95 174.74 7.5 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.41 1.576 . . . . 0.0 111.25 165.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.59 131.51 19.32 Favored Pre-proline 0 N--CA 1.523 3.207 0 C-N-CA 128.217 2.607 . . . . 0.0 111.771 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -76.34 -165.26 0.3 Allowed 'Trans proline' 0 N--CA 1.513 2.642 0 C-N-CA 123.322 2.681 . . . . 0.0 110.949 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -65.58 -39.37 91.54 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 116.818 -1.563 . . . . 0.0 113.087 162.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.91 171.5 4.38 Favored 'General case' 0 C--O 1.175 -2.846 0 CA-C-O 114.462 -2.685 . . . . 0.0 115.319 171.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt 68.44 -48.52 0.55 Allowed 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.506 3.123 . . . . 0.0 112.127 -175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.4 -49.76 31.46 Favored 'General case' 0 C--N 1.38 1.892 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.85 -28.62 65.83 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 118.693 -2.504 . . . . 0.0 111.925 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -48.27 43.9 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 127.609 2.364 . . . . 0.0 106.922 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.92 99.48 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-N 120.363 1.438 . . . . 0.0 113.043 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.85 -52.76 62.82 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.533 -1.355 . . . . 0.0 113.418 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -61.2 -35.54 77.45 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -31.07 67.76 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 123.15 2.705 . . . . 0.0 109.387 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.79 -32.71 53.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 O-C-N 119.957 -1.715 . . . . 0.0 110.251 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.44 -29.36 63.62 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 124.385 2.041 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 mt -79.0 -39.6 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.786 0 O-C-N 117.983 -2.948 . . . . 0.0 106.381 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.8 -24.9 67.69 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-N 121.658 2.026 . . . . 0.0 112.428 173.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -67.96 -42.31 81.09 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 115.705 -2.093 . . . . 0.0 115.044 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -109.5 -23.47 11.49 Favored 'General case' 0 C--O 1.262 1.716 1 CA-C-N 126.095 4.043 . . . . 0.0 110.102 178.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -130.06 35.75 4.09 Favored 'General case' 0 CA--C 1.562 1.416 0 O-C-N 116.963 -3.586 . . . . 0.0 113.949 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -165.13 -156.0 8.84 Favored Glycine 1 CA--C 1.637 7.676 0 CA-C-O 123.354 1.53 . . . . 0.0 114.898 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.308 73.4 mttt -127.63 132.12 49.8 Favored 'General case' 0 C--O 1.208 -1.082 1 O-C-N 116.366 -4.02 . . . . 0.0 114.506 176.512 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.04 148.76 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 CA-C-N 124.087 3.131 . . . . 0.0 111.78 -161.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -120.78 142.84 49.2 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 119.332 -2.105 . . . . 0.0 111.215 154.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -121.39 137.73 54.58 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 128.458 3.599 . . . . 0.0 111.893 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 159.46 34.08 Favored Glycine 0 CA--C 1.578 3.99 0 CA-C-N 113.858 -1.519 . . . . 0.0 111.404 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.265 6.9 m -75.87 -39.03 57.27 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 116.621 2.082 . . . . 0.0 116.621 -161.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . 0.307 18.3 t30 -57.8 -42.51 84.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 116.61 -3.807 . . . . 0.0 113.287 166.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . 0.272 27.7 mt-10 -67.32 -49.09 65.55 Favored 'General case' 0 N--CA 1.513 2.686 0 O-C-N 118.723 -2.486 . . . . 0.0 110.194 175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.2 m -53.3 -45.82 69.1 Favored 'General case' 1 N--CA 1.552 4.632 0 N-CA-C 118.991 2.959 . . . . 0.0 118.991 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 8.4 m -52.95 -56.47 15.69 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 163.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 42' ' ' LYS 0.253 25.8 mtmt -62.21 -22.18 65.73 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 124.951 1.301 . . . . 0.0 109.819 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.89 0.59 Allowed 'General case' 0 CA--C 1.554 1.102 0 O-C-N 118.534 -2.604 . . . . 0.0 110.691 169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.14 -39.12 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 CA-C-O 125.811 2.719 . . . . 0.0 115.557 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.81 -36.98 77.89 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.505 -2.622 . . . . 0.0 113.688 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -84.66 -30.13 25.12 Favored 'General case' 0 C--N 1.387 2.233 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.926 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.52 -164.75 32.5 Favored Glycine 0 C--N 1.378 2.887 1 CA-C-O 113.287 -4.063 . . . . 0.0 117.906 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' NE2' HD13 ' A' ' 76' ' ' ILE . 41.0 tp60 -74.75 95.24 2.85 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 126.721 3.153 . . . . 0.0 112.619 -175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.55 141.45 48.45 Favored 'General case' 0 CA--C 1.61 3.28 0 CA-C-N 112.059 -2.337 . . . . 0.0 110.429 170.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -91.29 -17.25 26.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 119.722 -1.861 . . . . 0.0 111.36 -165.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.5 tp -171.7 144.12 1.79 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 172.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.32 146.13 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.461 0 O-C-N 119.716 -1.865 . . . . 0.0 110.319 164.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 56.2 mt -128.63 140.26 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 1 O-C-N 115.62 -4.425 . . . . 0.0 111.369 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -137.26 128.49 40.85 Favored 'Isoleucine or valine' 0 C--O 1.272 2.26 0 C-N-CA 128.786 2.834 . . . . 0.0 111.583 -170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.25 . . -67.53 145.36 55.0 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -78.82 -20.91 48.56 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 124.492 3.314 . . . . 0.0 114.34 166.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -100.53 40.68 1.24 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.461 -2.025 . . . . 0.0 115.685 -166.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' GLU . 5.3 m -82.62 149.61 4.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.38 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.058 174.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -143.87 125.21 8.08 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 165.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -75.68 156.98 99.09 Favored 'Cis proline' 1 CA--C 1.62 4.78 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 -6.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' HA ' HG23 ' A' ' 58' ' ' VAL . 13.8 pt-20 -64.38 -29.77 70.83 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 118.414 -2.679 . . . . 0.0 111.592 -175.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -56.01 -10.74 0.87 Allowed 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 119.614 3.19 . . . . 0.0 119.614 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.0 pt -74.91 -27.32 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -116.97 -12.36 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 126.643 1.977 . . . . 0.0 108.06 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.84 -23.29 60.47 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 115.04 -4.788 . . . . 0.0 115.172 -174.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -77.86 -11.34 59.88 Favored 'General case' 0 C--O 1.269 2.099 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.0 -46.12 4.83 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-O 115.576 -2.154 . . . . 0.0 108.606 -173.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.84 -46.99 5.57 Favored 'Trans proline' 0 C--O 1.208 -0.985 0 CA-C-O 114.172 -2.512 . . . . 0.0 111.294 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.39 -48.0 24.34 Favored 'Trans proline' 0 CA--C 1.468 -2.811 0 C-N-CA 122.988 2.459 . . . . 0.0 114.936 170.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 -25.29 64.77 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 120.377 -1.452 . . . . 0.0 110.638 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.16 -6.06 51.5 Favored 'General case' 0 C--O 1.194 -1.858 0 O-C-N 118.366 -2.709 . . . . 0.0 117.407 165.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -84.82 -41.94 15.59 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 129.23 3.012 . . . . 0.0 110.723 167.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -50.32 -37.81 38.57 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 128.571 2.748 . . . . 0.0 118.395 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -114.61 -3.32 12.93 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.814 -2.517 . . . . 0.0 115.458 -168.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . 0.304 47.4 mt-10 66.23 52.46 1.13 Allowed 'General case' 0 C--N 1.371 1.507 0 CA-C-O 126.438 3.018 . . . . 0.0 112.47 175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD13 ' NE2' ' A' ' 48' ' ' GLN . 33.5 mm -117.62 130.83 24.41 Favored Pre-proline 0 C--O 1.256 1.43 0 CA-C-N 112.917 -1.947 . . . . 0.0 114.341 -173.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -68.2 134.05 30.36 Favored 'Trans proline' 0 CA--C 1.573 2.472 0 C-N-CA 124.936 3.757 . . . . 0.0 108.085 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -123.5 147.41 47.24 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 125.11 1.364 . . . . 0.0 113.049 170.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 tt -141.52 144.54 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.951 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -84.48 139.37 32.22 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 127.464 2.978 . . . . 0.0 109.235 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.89 157.11 79.2 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-O 117.212 -1.375 . . . . 0.0 113.463 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -61.48 -35.43 82.48 Favored 'Trans proline' 0 CA--C 1.591 3.328 0 C-N-CA 125.245 3.963 . . . . 0.0 114.918 -171.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 p -144.16 154.83 43.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -66.39 -34.13 77.26 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.613 1.965 . . . . 0.0 112.937 160.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -67.11 -49.54 64.58 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.317 1.056 . . . . 0.0 113.167 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -68.87 -30.47 68.99 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 124.243 1.017 . . . . 0.0 113.742 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 tp -57.96 -44.28 86.92 Favored 'General case' 0 C--O 1.261 1.689 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 163.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.9 -54.43 33.61 Favored Glycine 0 C--O 1.186 -2.861 0 CA-C-O 124.813 2.34 . . . . 0.0 115.371 167.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -26.98 68.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 119.273 -2.31 . . . . 0.0 117.003 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.01 64.32 Favored 'General case' 0 C--N 1.373 1.596 0 O-C-N 118.471 -2.643 . . . . 0.0 109.06 170.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.67 3.25 33.82 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-O 123.095 1.426 . . . . 0.0 108.739 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.32 9.37 36.07 Favored Glycine 1 CA--C 1.587 4.544 0 CA-C-O 114.27 -3.516 . . . . 0.0 116.876 -176.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -85.67 175.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.556 0 CA-C-N 121.38 2.59 . . . . 0.0 111.868 173.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -87.56 -46.84 9.21 Favored 'General case' 0 N--CA 1.53 3.527 0 CA-C-O 114.003 -2.903 . . . . 0.0 115.099 173.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.348 2.3 m -67.73 176.72 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.7 0 CA-C-N 124.825 3.466 . . . . 0.0 118.976 172.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.48 153.76 26.68 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.648 -1.168 . . . . 0.0 113.098 172.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.68 122.24 32.48 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 -24.98 60.2 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 113.779 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 81.2 p -150.81 158.99 44.82 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-O 115.645 -2.121 . . . . 0.0 112.837 167.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.49 153.48 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 C-N-CA 130.987 3.715 . . . . 0.0 108.647 176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -137.03 144.38 43.2 Favored 'General case' 0 CA--C 1.599 2.857 0 O-C-N 116.977 -3.577 . . . . 0.0 112.658 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.3 mm -100.59 141.23 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . 0.3 1.8 mp -104.2 -48.3 9.92 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.876 0 C-N-CA 130.059 3.344 . . . . 0.0 111.731 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.06 117.93 7.64 Favored Pre-proline 0 CA--C 1.594 2.639 0 C-N-CA 130.049 3.34 . . . . 0.0 111.043 164.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -60.88 -15.84 40.9 Favored 'Trans proline' 0 N--CA 1.508 2.344 0 CA-C-N 123.447 2.267 . . . . 0.0 114.201 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.15 -112.53 2.32 Favored Glycine 0 C--N 1.308 -1.011 0 C-N-CA 124.263 0.935 . . . . 0.0 112.883 -171.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -57.17 -24.63 55.7 Favored 'General case' 0 N--CA 1.522 3.157 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 168.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.62 24.12 4.85 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 118.222 -2.799 . . . . 0.0 117.298 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -63.08 -47.88 81.02 Favored 'General case' 0 C--O 1.294 3.415 0 O-C-N 126.362 2.289 . . . . 0.0 112.598 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -79.67 -17.13 54.4 Favored 'General case' 0 CA--C 1.485 -1.539 0 O-C-N 119.423 -2.048 . . . . 0.0 110.265 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.4 tp -78.5 -37.08 44.02 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 121.952 2.16 . . . . 0.0 114.428 168.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.71 -29.0 43.69 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 124.061 0.851 . . . . 0.0 111.027 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -68.5 -37.4 80.06 Favored 'General case' 0 C--O 1.264 1.851 0 CA-C-O 118.772 -0.633 . . . . 0.0 110.073 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.92 -37.22 40.42 Favored 'General case' 0 C--N 1.371 1.526 0 CA-C-O 123.256 1.503 . . . . 0.0 109.646 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . 0.279 9.9 tp -66.34 -46.16 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 O-C-N 118.096 -2.877 . . . . 0.0 112.658 171.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.03 84.97 Favored 'General case' 0 C--O 1.264 1.817 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 63.8 mtm -71.8 -22.48 61.56 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 117.301 -3.375 . . . . 0.0 116.029 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -75.2 -44.09 48.36 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 119.409 -2.057 . . . . 0.0 109.837 172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 34.2 t -59.34 -27.57 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-O 116.132 -1.89 . . . . 0.0 113.41 173.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -57.13 -35.92 70.07 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 125.35 1.46 . . . . 0.0 113.756 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -94.44 -41.12 9.55 Favored 'General case' 0 C--O 1.195 -1.792 0 CA-C-O 112.684 -3.532 . . . . 0.0 113.573 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . 0.375 0.3 OUTLIER -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.602 2.969 0 C-N-CA 127.786 2.434 . . . . 0.0 112.268 -175.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 46.2 ttm -82.24 -14.89 54.79 Favored 'General case' 0 CA--C 1.607 3.164 1 C-N-CA 131.978 4.111 . . . . 0.0 110.43 176.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt . . . . . 0 C--N 1.268 -2.952 0 C-N-CA 126.062 1.745 . . . . 0.0 110.889 -175.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.37 -4.356 1 O5'-C5'-C4' 117.005 4.861 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.38 -6.111 4 O4'-C1'-N19 117.522 9.322 . 0.849 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.517 -7.638 4 C3'-C2'-C1' 109.115 8.461 . 0.802 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -5.154 2 C5'-C4'-O4' 117.032 5.594 . 0.037 4b . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.462 3.974 2 C5'-C4'-C3' 108.233 -4.845 . 0.019 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.371 -6.869 3 O4'-C1'-N19 119.037 10.837 . 0.155 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.373 -6.632 5 C1'-O4'-C4' 100.453 -10.164 . 0.349 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.354 -5.018 3 O4'-C1'-N19 116.637 8.437 . 0.395 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.47 -5.035 4 C3'-C2'-C1' 106.591 5.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.485 3 O5'-C5'-C4' 121.789 8.278 . 0.038 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.574 4.96 2 P-O3'-C3' 126.179 5.399 . 0.048 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.352 -8.387 2 O4'-C1'-N19 114.576 6.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.595 6.488 4 C3'-C2'-C1' 107.317 6.463 . 0.023 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.461 3.685 2 P-O3'-C3' 126.954 6.045 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' C' . . . . . . . . 4 C5'--C4' 1.58 5.422 2 O4'-C1'-N19 121.514 13.314 . 0.368 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . 0.425 ' C5 ' ' C5 ' ' B' ' 16' ' ' ' G' . . . . . . . . 3 P--O3' 1.546 -5.058 5 C5'-C4'-C3' 107.789 -5.141 . 0.632 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.529 7.544 2 C4'-C3'-C2' 95.227 -7.473 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.593 6.2 3 C5'-C4'-C3' 107.101 -5.599 . 0.442 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.58 5.241 3 P-O3'-C3' 126.047 5.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.479 5.43 1 O4'-C1'-C2' 100.636 -4.117 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.625 9.107 4 C4'-C3'-C2' 96.375 -6.325 . 0.0 OUTLIER '7D dist #a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.392 -5.073 3 C3'-C2'-C1' 107.393 6.548 . 0.162 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.676 5.744 2 O4'-C1'-N19 113.803 5.603 . 0.406 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 29.2 tttm . . . . . 0 N--CA 1.506 2.349 0 CA-C-O 117.177 -1.392 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -87.63 162.97 7.9 Favored 'Trans proline' 0 N--CA 1.428 -2.328 0 CA-C-N 123.234 2.191 . . . . 0.0 110.305 -161.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -89.41 -16.19 31.5 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 129.411 3.084 . . . . 0.0 114.298 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -85.0 -12.66 52.73 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 118.776 -2.452 . . . . 0.0 112.368 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 m -78.27 132.56 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.519 0 CA-C-N 121.641 2.018 . . . . 0.0 108.051 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -101.54 -26.84 13.4 Favored 'General case' 0 C--N 1.386 2.174 0 C-N-CA 127.411 2.285 . . . . 0.0 112.481 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -134.37 150.34 50.9 Favored 'General case' 0 CA--C 1.584 2.256 0 C-N-CA 128.044 2.538 . . . . 0.0 114.493 171.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.18 163.82 18.49 Favored 'General case' 0 C--N 1.403 2.92 0 CA-C-O 116.317 -1.801 . . . . 0.0 107.381 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -137.11 142.73 39.23 Favored Pre-proline 0 CA--C 1.557 1.234 0 CA-C-O 115.221 -2.323 . . . . 0.0 107.531 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.12 -152.71 0.04 OUTLIER 'Trans proline' 0 CA--C 1.573 2.445 0 C-N-CA 122.597 2.198 . . . . 0.0 108.122 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -68.24 -43.8 77.08 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 122.435 2.379 . . . . 0.0 106.367 175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.39 173.38 11.53 Favored 'General case' 0 CA--C 1.575 1.926 0 C-N-CA 127.139 2.175 . . . . 0.0 115.295 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt 60.55 -44.5 0.11 Allowed 'General case' 0 N--CA 1.524 3.264 0 C-N-CA 127.383 2.273 . . . . 0.0 113.033 -161.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.39 69.78 Favored 'General case' 0 CA--C 1.575 1.918 0 CA-C-O 115.309 -2.281 . . . . 0.0 109.89 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -65.22 -37.76 88.3 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 124.251 0.969 . . . . 0.0 112.856 167.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -76.79 -32.53 57.72 Favored 'General case' 0 C--N 1.408 3.147 0 C-N-CA 125.043 1.337 . . . . 0.0 114.22 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -57.08 14.55 Favored 'General case' 0 N--CA 1.409 -2.517 0 O-C-N 120.721 -1.237 . . . . 0.0 109.561 166.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.97 -40.8 61.48 Favored 'General case' 0 C--N 1.395 2.564 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -170.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.09 -26.36 60.32 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 119.964 3.32 . . . . 0.0 119.964 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.07 94.8 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 125.574 1.55 . . . . 0.0 108.222 166.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.69 -34.04 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.902 0 CA-C-O 117.448 -1.263 . . . . 0.0 109.432 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.2 -52.46 23.12 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 122.026 2.193 . . . . 0.0 110.44 -174.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.9 pt -73.89 -17.67 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 112.566 -3.588 . . . . 0.0 110.446 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.81 -5.02 59.31 Favored 'General case' 0 CA--C 1.493 -1.23 0 CA-C-N 122.108 2.231 . . . . 0.0 110.378 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -95.84 -58.56 2.07 Favored 'General case' 0 C--O 1.293 3.359 0 CA-C-O 114.159 -2.829 . . . . 0.0 108.715 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -73.42 -14.46 61.26 Favored 'General case' 0 N--CA 1.51 2.567 0 CA-C-O 115.018 -2.42 . . . . 0.0 113.611 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -138.15 10.7 2.8 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.132 1.52 . . . . 0.0 111.294 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.27 -156.08 6.71 Favored Glycine 0 N--CA 1.487 2.035 1 O-C-N 115.268 -4.645 . . . . 0.0 113.263 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -127.69 129.96 48.05 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 129.52 3.128 . . . . 0.0 113.747 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 tt -150.74 155.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 126.938 2.649 . . . . 0.0 113.904 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -130.92 126.38 35.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.554 1.541 . . . . 0.0 112.379 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HE2' ' N7 ' ' B' ' 19' ' ' ' A' . 20.9 pttm -135.98 141.7 44.45 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 125.103 1.502 . . . . 0.0 113.922 -165.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.95 156.7 31.51 Favored Glycine 0 N--CA 1.479 1.532 0 C-N-CA 126.796 2.141 . . . . 0.0 111.055 -166.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -55.16 -54.12 47.33 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.785 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.69 -47.19 86.61 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 122.726 2.512 . . . . 0.0 110.634 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.6 -37.96 89.32 Favored 'General case' 0 CA--C 1.589 2.446 1 O-C-N 115.923 -4.235 . . . . 0.0 108.576 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.5 m -60.41 -48.48 81.56 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 128.036 2.534 . . . . 0.0 108.357 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 m -57.47 -49.02 77.64 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.621 0.768 . . . . 0.0 110.963 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -80.0 -22.23 42.71 Favored 'General case' 0 N--CA 1.53 3.557 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.95 70.38 Favored 'General case' 0 C--O 1.277 2.503 0 O-C-N 118.058 -2.901 . . . . 0.0 106.87 177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -84.13 -50.69 14.9 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 0 C-N-CA 126.228 1.811 . . . . 0.0 112.692 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 9.4 tp10 -44.35 -40.14 5.12 Favored 'General case' 0 C--O 1.293 3.367 0 CA-C-O 127.216 3.389 . . . . 0.0 118.576 169.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -79.53 10.82 3.5 Favored 'General case' 0 C--N 1.307 -1.25 1 O-C-N 115.319 -4.613 . . . . 0.0 117.11 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.6 -7.12 63.27 Favored Glycine 0 CA--C 1.45 -3.999 0 CA-C-O 116.962 -2.021 . . . . 0.0 116.404 153.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -153.48 134.33 13.85 Favored 'General case' 0 N--CA 1.42 -1.928 1 CA-C-N 124.271 4.035 . . . . 0.0 114.441 164.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.02 -173.81 3.68 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 129.42 3.088 . . . . 0.0 108.123 168.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -115.35 -43.05 3.09 Favored 'General case' 0 CA--C 1.572 1.821 0 O-C-N 117.902 -2.999 . . . . 0.0 112.585 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -157.2 152.31 26.05 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.8 1.313 . . . . 0.0 109.644 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.306 13.5 p -130.16 136.95 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.528 1.531 . . . . 0.0 111.935 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.73 131.32 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 112.238 -3.744 . . . . 0.0 111.029 -169.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.65 154.26 36.64 Favored 'Isoleucine or valine' 0 C--O 1.28 2.672 1 CA-C-N 126.248 4.113 . . . . 0.0 110.866 -175.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.51 171.45 15.14 Favored 'General case' 0 CA--C 1.574 1.876 0 CA-C-O 125.393 2.52 . . . . 0.0 116.476 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -108.52 -31.34 7.83 Favored 'General case' 0 N--CA 1.399 -2.989 0 C-N-CA 129.226 3.011 . . . . 0.0 110.876 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -81.13 22.67 0.63 Allowed 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.041 -2.287 . . . . 0.0 116.463 174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.24 143.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.056 0 CA-C-O 112.746 -3.502 . . . . 0.0 108.542 -175.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -158.69 109.27 1.63 Allowed Pre-proline 0 CA--C 1.619 3.612 0 CA-C-N 123.669 2.941 . . . . 0.0 108.883 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . 0.252 11.3 Cg_exo -63.94 147.83 66.04 Favored 'Cis proline' 0 C--O 1.192 -1.791 0 CA-C-N 120.79 1.318 . . . . 0.0 110.453 1.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.287 10.0 pt-20 -77.87 -26.94 49.58 Favored 'General case' 0 C--N 1.406 3.039 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -54.24 -26.87 31.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.15 -9.54 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 O-C-N 120.17 -1.581 . . . . 0.0 113.418 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.35 -0.8 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 116.605 -3.809 . . . . 0.0 112.254 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.59 -16.93 62.31 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -68.8 -22.06 64.29 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 125.849 1.66 . . . . 0.0 111.097 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.4 mt -79.63 -45.46 1.57 Allowed Pre-proline 0 CA--C 1.474 -1.973 0 CA-C-O 114.298 -2.763 . . . . 0.0 111.447 -165.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.26 -40.94 71.63 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 116.355 -1.963 . . . . 0.0 115.198 173.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.7 -39.16 84.47 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.123 2.549 . . . . 0.0 117.233 167.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.37 -29.75 57.29 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 71.8 m -67.72 -34.66 77.32 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 124.654 1.181 . . . . 0.0 112.559 169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.33 -29.97 68.84 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 127.528 2.331 . . . . 0.0 110.72 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.37 -46.5 11.66 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 116.691 -3.756 . . . . 0.0 112.63 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 45' ' ' GLU . 71.4 mmtt -85.94 -9.89 56.12 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.175 1.39 . . . . 0.0 113.229 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 51.63 34.44 12.7 Favored 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 128.423 2.689 . . . . 0.0 116.726 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.91 136.81 43.98 Favored Pre-proline 0 C--O 1.179 -2.614 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.203 167.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -63.07 143.87 91.48 Favored 'Trans proline' 0 CA--C 1.562 1.903 1 C-N-CA 125.356 4.037 . . . . 0.0 113.15 174.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -137.65 155.39 49.2 Favored 'General case' 0 C--O 1.164 -3.408 0 O-C-N 124.449 1.093 . . . . 0.0 108.351 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' H ' ' A' ' 80' ' ' TYR . 6.2 tp -150.43 145.92 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.099 0 C-N-CA 129.884 3.274 . . . . 0.0 113.737 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' H ' HD12 ' A' ' 79' ' ' ILE . 18.8 m-85 -92.68 152.09 19.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.386 -2.071 . . . . 0.0 111.332 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.03 166.87 25.25 Favored Pre-proline 0 N--CA 1.388 -3.562 0 C-N-CA 127.971 2.509 . . . . 0.0 108.613 168.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -67.99 -41.07 8.11 Favored 'Trans proline' 0 CA--C 1.602 3.905 0 C-N-CA 114.371 -3.286 . . . . 0.0 114.33 -162.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.7 p -153.8 147.08 24.77 Favored 'General case' 0 N--CA 1.416 -2.144 0 C-N-CA 131.594 3.957 . . . . 0.0 117.564 -173.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -68.93 -24.82 64.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -174.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -66.25 -52.12 50.78 Favored 'General case' 0 C--O 1.162 -3.54 0 C-N-CA 124.565 1.146 . . . . 0.0 111.76 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -27.53 61.59 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.245 0.93 . . . . 0.0 111.997 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.36 -37.13 79.74 Favored 'General case' 0 CA--C 1.592 2.581 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 165.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.0 -34.27 89.47 Favored Glycine 0 N--CA 1.49 2.238 0 CA-C-O 126.147 3.081 . . . . 0.0 114.968 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.03 89.13 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 119.155 -2.379 . . . . 0.0 111.865 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.85 -28.66 27.86 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 126.698 1.999 . . . . 0.0 114.671 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.55 4.71 8.68 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.619 163.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.18 26.59 25.58 Favored Glycine 0 CA--C 1.545 1.919 0 O-C-N 117.57 -3.206 . . . . 0.0 112.283 152.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 pt -128.86 168.31 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 C-N-CA 128.682 2.793 . . . . 0.0 115.403 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -96.34 -16.02 21.55 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 116.714 -3.742 . . . . 0.0 108.135 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.4 164.03 2.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 122.533 2.424 . . . . 0.0 117.069 172.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.34 157.18 32.68 Favored 'General case' 0 C--O 1.273 2.325 0 CA-C-N 120.986 1.721 . . . . 0.0 114.262 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -124.92 118.35 26.1 Favored 'General case' 0 C--O 1.263 1.786 0 CA-C-O 112.171 -3.776 . . . . 0.0 109.303 170.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.57 -1.26 45.68 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 122.628 2.467 . . . . 0.0 115.624 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m -166.52 148.21 6.47 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 127.981 2.513 . . . . 0.0 112.92 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.1 150.77 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 CA-C-O 123.222 1.487 . . . . 0.0 109.485 178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.19 130.64 23.8 Favored 'General case' 0 CA--C 1.568 1.651 1 O-C-N 114.738 -4.976 . . . . 0.0 112.283 -166.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.416 ' C ' HD12 ' A' ' 103' ' ' ILE . 21.1 mm -87.46 135.23 25.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.601 0 O-C-N 119.364 -2.085 . . . . 0.0 109.891 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 102' ' ' ILE . 3.4 mp -119.08 -48.4 3.55 Favored 'Isoleucine or valine' 0 C--N 1.395 2.552 0 C-N-CA 125.51 1.524 . . . . 0.0 113.193 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -123.65 103.13 34.86 Favored Pre-proline 0 CA--C 1.564 1.509 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 167.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -58.37 -7.95 4.62 Favored 'Trans proline' 0 CA--C 1.572 2.391 0 N-CA-C 116.971 1.874 . . . . 0.0 116.971 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.0 -124.92 31.7 Favored Glycine 0 N--CA 1.488 2.164 0 O-C-N 120.325 -1.485 . . . . 0.0 113.389 -171.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -57.31 -17.05 10.32 Favored 'General case' 0 CA--C 1.609 3.215 0 N-CA-C 120.409 3.485 . . . . 0.0 120.409 170.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.31 19.08 9.94 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-O 117.458 -1.258 . . . . 0.0 110.585 -166.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.0 mtm105 -41.22 -54.32 2.96 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.159 2.651 . . . . 0.0 118.159 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -91.32 -19.07 23.35 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 116.547 -2.061 . . . . 0.0 115.966 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.5 tp -62.51 -45.5 92.7 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 123.516 1.626 . . . . 0.0 110.336 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.58 -30.69 25.73 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.149 0 CA-C-N 113.39 -1.732 . . . . 0.0 110.717 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.48 -36.05 82.72 Favored 'General case' 0 C--O 1.189 -2.087 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -75.05 -40.29 60.38 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.818 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.0 mt -59.0 -46.97 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.274 0 CA-C-N 124.173 3.17 . . . . 0.0 112.649 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.83 68.95 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 118.743 -2.473 . . . . 0.0 112.985 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 50.7 ttm -67.19 -52.77 37.19 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -73.86 -20.99 60.26 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 -174.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.7 t -79.57 -20.48 12.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 O-C-N 125.104 1.502 . . . . 0.0 109.89 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -55.15 -44.49 75.18 Favored 'General case' 0 CA--C 1.587 2.394 0 O-C-N 118.713 -2.492 . . . . 0.0 115.695 -173.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.96 -17.43 62.07 Favored 'General case' 0 CA--C 1.604 3.027 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.88 -37.87 79.33 Favored 'General case' 0 C--O 1.28 2.702 0 C-N-CA 128.979 2.912 . . . . 0.0 110.739 171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.5 mtm -83.32 35.66 0.5 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.313 1.845 . . . . 0.0 111.951 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt . . . . . 0 CA--C 1.499 -0.987 0 CA-C-O 112.516 -3.612 . . . . 0.0 115.556 -174.595 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.596 6.759 2 O4'-C1'-N19 114.914 6.714 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 6.112 0 C4'-C3'-C2' 105.271 2.571 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.559 4 O4'-C4'-C3' 117.283 8.417 . 0.299 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.418 HO2' ' H8 ' ' B' ' 6' ' ' ' G' . . . . . . . . 1 O3'--C3' 1.494 5.085 4 O3'-P-O5' 92.776 -5.907 . 0.18 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . 0.418 ' H8 ' HO2' ' B' ' 5' ' ' ' A' . . . . . . . . 2 P--O3' 1.534 -6.111 3 C3'-C2'-C1' 109.288 8.654 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.087 1 O4'-C1'-N19 112.771 4.571 . 0.111 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.449 0 O5'-C5'-C4' 105.118 -3.63 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.324 -6.813 1 P-O3'-C3' 125.064 4.47 . 0.231 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.693 7.156 4 C3'-C2'-C1' 107.987 7.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.528 -6.482 1 C5'-C4'-O4' 116.329 5.092 . 0.131 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.522 5.761 4 C3'-C2'-C1' 107.849 7.054 OUTLIER-DELTA 0.142 1g . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.59 5.969 4 C5'-C4'-C3' 107.941 -5.039 . 0.051 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.585 5.507 4 C3'-C2'-C1' 106.459 5.51 . 0.311 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.874 2 C5'-C4'-O4' 118.208 6.434 . 0.508 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.587 5.595 2 C4'-C3'-C2' 97.963 -4.737 . 0.385 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.347 -8.803 2 C3'-C2'-C1' 95.639 -6.512 . 0.345 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C2'--O2' 1.48 5.167 3 C3'-C2'-C1' 93.776 -8.582 . 0.304 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . 0.464 ' N7 ' ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 P--OP2 1.401 -4.951 1 C5'-C4'-C3' 106.238 -6.175 . 0.397 7r . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.568 4.495 1 O4'-C1'-N19 114.508 6.308 . 0.352 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.551 -4.672 5 C3'-C2'-C1' 107.235 6.373 . 0.147 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.321 2 C4'-C3'-C2' 98.168 -4.532 . 0.154 '#a' . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.583 5.512 5 O4'-C1'-N19 116.705 8.505 . 0.27 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.57 4.212 0 C1'-O4'-C4' 113.177 3.974 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 78.0 tttt . . . . . 0 C--O 1.279 2.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 7.3 Cg_exo -68.07 159.69 51.97 Favored 'Trans proline' 0 C--N 1.39 2.716 1 C-N-CA 125.338 4.025 . . . . 0.0 109.336 176.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -74.93 -17.05 60.62 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 116.82 -3.675 . . . . 0.0 117.897 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -86.32 -4.61 59.2 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 119.469 3.136 . . . . 0.0 119.469 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -76.95 113.18 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.478 0 O-C-N 120.013 -1.679 . . . . 0.0 106.88 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.253 69.6 mmtt -75.13 -12.85 60.4 Favored 'General case' 0 C--O 1.201 -1.477 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -155.98 146.24 21.59 Favored 'General case' 0 N--CA 1.517 2.884 0 C-N-CA 129.526 3.13 . . . . 0.0 111.164 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -71.32 156.39 39.56 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.114 -1.616 . . . . 0.0 112.775 166.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -129.02 136.81 29.76 Favored Pre-proline 0 CA--C 1.589 2.458 0 N-CA-C 102.889 -3.004 . . . . 0.0 102.889 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.34 -165.71 0.36 Allowed 'Trans proline' 0 CA--C 1.589 3.247 0 C-N-CA 124.423 3.415 . . . . 0.0 117.893 172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.21 -22.49 64.8 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 126.688 2.492 . . . . 0.0 112.323 166.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.259 0.0 OUTLIER -74.49 -178.33 3.5 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.053 0.941 . . . . 0.0 110.839 162.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.9 -67.85 0.06 Allowed 'General case' 0 CA--C 1.585 2.323 0 CA-C-O 116.599 -1.667 . . . . 0.0 115.02 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.57 -41.67 79.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 130.42 3.488 . . . . 0.0 112.143 -172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.58 -35.11 75.05 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 116.682 -1.627 . . . . 0.0 110.591 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -68.95 -43.96 73.95 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 117.85 -3.031 . . . . 0.0 110.108 170.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.8 -48.87 72.2 Favored 'General case' 0 C--O 1.192 -1.938 0 CA-C-N 120.547 1.522 . . . . 0.0 113.047 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.2 tm? -50.0 -61.46 2.13 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.366 2.667 . . . . 0.0 110.855 172.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -70.69 -2.6 15.04 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 116.207 1.929 . . . . 0.0 116.207 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -21.06 28.49 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 116.511 -2.075 . . . . 0.0 109.45 169.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.8 -34.99 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.913 0 O-C-N 120.173 -1.579 . . . . 0.0 111.863 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.71 -30.05 70.5 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -101.56 -27.09 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.175 1.79 . . . . 0.0 107.484 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -29.47 67.85 Favored 'General case' 0 C--O 1.271 2.231 0 O-C-N 118.994 -2.316 . . . . 0.0 110.038 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -50.31 -33.4 19.96 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 128.559 2.744 . . . . 0.0 113.559 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -130.94 -39.83 1.2 Allowed 'General case' 0 CA--C 1.594 2.657 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.7 p -74.84 -10.34 59.41 Favored 'General case' 0 C--O 1.191 -1.977 0 C-N-CA 117.969 -1.492 . . . . 0.0 115.0 167.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.92 -145.55 5.56 Favored Glycine 2 N--CA 1.543 5.832 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -172.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -131.84 139.72 48.91 Favored 'General case' 0 C--O 1.268 2.076 0 C-N-CA 125.853 1.661 . . . . 0.0 110.812 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 tp -125.52 164.49 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 128.332 2.653 . . . . 0.0 114.836 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -134.62 138.94 44.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 127.941 3.276 . . . . 0.0 109.402 157.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -143.88 112.46 6.52 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 124.279 1.99 . . . . 0.0 115.702 -167.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.59 156.15 23.32 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-N 110.302 -3.135 . . . . 0.0 109.063 -163.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 m -72.03 -38.25 69.6 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 109.739 -3.231 . . . . 0.0 113.258 -165.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.01 -45.67 73.39 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 116.793 -1.575 . . . . 0.0 110.955 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.38 -24.45 66.49 Favored 'General case' 0 N--CA 1.521 3.108 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 167.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -71.45 -44.08 65.47 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.2 m -61.78 -48.71 79.41 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 129.338 3.055 . . . . 0.0 109.225 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 42' ' ' LYS . 40.3 mtmt -66.31 -15.86 63.58 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 117.178 2.288 . . . . 0.0 117.178 171.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.35 -23.31 16.69 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 172.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.54 -46.55 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 115.621 -2.432 . . . . 0.0 112.733 169.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.2 -28.51 27.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.984 3.303 . . . . 0.0 114.414 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -62.37 -18.7 62.19 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 117.406 -3.309 . . . . 0.0 113.923 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.36 4.04 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 128.572 3.67 . . . . 0.0 115.423 174.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -151.66 141.88 22.33 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.057 -1.849 . . . . 0.0 112.134 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -139.19 173.71 11.27 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 130.329 3.452 . . . . 0.0 105.588 159.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.01 -44.3 7.75 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 117.433 -3.292 . . . . 0.0 112.781 173.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -154.36 143.87 21.48 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 114.862 -2.494 . . . . 0.0 114.851 176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 p -119.84 144.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 0 CA-C-N 124.834 3.47 . . . . 0.0 110.61 169.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.25 133.08 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 2 CA-C-N 107.799 -4.273 . . . . 0.0 108.96 -174.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.41 140.21 45.2 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.306 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.38 171.24 11.99 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.079 0.942 . . . . 0.0 113.245 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -105.34 24.22 12.47 Favored 'General case' 0 CA--C 1.575 1.904 0 O-C-N 119.089 -2.257 . . . . 0.0 115.057 173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -146.12 17.74 1.39 Allowed 'General case' 0 CA--C 1.626 3.895 0 CA-C-O 122.436 1.112 . . . . 0.0 112.665 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.93 138.34 22.82 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 119.457 -2.027 . . . . 0.0 110.9 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -149.98 111.47 3.32 Favored Pre-proline 0 CA--C 1.581 2.17 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -170.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -63.79 124.11 3.64 Favored 'Cis proline' 0 C--O 1.182 -2.289 0 CA-C-N 122.334 1.869 . . . . 0.0 113.48 3.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -20.75 2.52 Favored 'General case' 0 C--O 1.242 0.693 0 O-C-N 119.151 -2.218 . . . . 0.0 114.965 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -65.42 -32.65 74.39 Favored 'General case' 0 C--O 1.164 -3.424 0 C-N-CA 126.268 1.827 . . . . 0.0 110.943 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 pt -60.86 2.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.762 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.1 -8.38 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.536 3.848 0 O-C-N 119.074 -2.266 . . . . 0.0 115.126 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.03 60.03 Favored 'General case' 0 C--N 1.275 -2.643 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -77.47 -17.04 58.4 Favored 'General case' 0 C--O 1.271 2.226 0 C-N-CA 128.988 2.915 . . . . 0.0 113.857 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 55.7 mt -60.23 -63.34 4.39 Favored Pre-proline 0 N--CA 1.525 3.325 0 C-N-CA 126.196 1.798 . . . . 0.0 111.786 175.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 52.1 Cg_exo -54.72 -33.5 80.49 Favored 'Trans proline' 0 CA--C 1.584 3.023 0 CA-C-N 123.08 2.136 . . . . 0.0 115.267 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -74.53 -38.59 1.8 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.293 3.328 . . . . 0.0 107.015 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.3 tp -58.25 -40.89 82.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 123.664 2.938 . . . . 0.0 112.921 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . 0.267 81.2 m -77.39 -26.28 51.66 Favored 'General case' 0 N--CA 1.418 -2.047 0 CA-C-O 116.589 -1.672 . . . . 0.0 111.805 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -56.99 -40.12 75.95 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-O 125.164 2.411 . . . . 0.0 116.031 160.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -61.88 -31.56 71.85 Favored 'General case' 0 C--N 1.38 1.927 0 O-C-N 117.784 -3.072 . . . . 0.0 114.531 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -105.98 -8.41 17.6 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-N 111.232 -2.713 . . . . 0.0 118.301 -173.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 62.33 40.47 11.22 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 126.328 1.851 . . . . 0.0 115.617 -171.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.6 mm -91.5 136.45 26.74 Favored Pre-proline 0 C--O 1.272 2.26 0 C-N-CA 127.395 2.278 . . . . 0.0 114.506 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -69.31 135.04 30.47 Favored 'Trans proline' 0 N--CA 1.417 -2.993 0 C-N-CA 124.23 3.287 . . . . 0.0 113.555 168.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -131.81 154.49 49.07 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 115.229 -2.319 . . . . 0.0 113.81 172.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 tt -147.89 157.28 8.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 124.855 2.264 . . . . 0.0 107.786 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.03 137.47 37.51 Favored 'General case' 0 CA--C 1.575 1.908 0 C-N-CA 131.172 3.789 . . . . 0.0 115.873 168.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 m -133.02 149.22 72.22 Favored Pre-proline 0 C--O 1.2 -1.516 0 C-N-CA 127.712 2.405 . . . . 0.0 111.322 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -63.83 -11.11 25.22 Favored 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 124.942 3.762 . . . . 0.0 120.107 -172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.8 t -158.24 126.08 5.22 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 124.418 3.281 . . . . 0.0 111.996 -169.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -68.99 -18.77 64.1 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 117.525 2.417 . . . . 0.0 117.525 162.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.67 -40.8 18.47 Favored 'General case' 0 CA--C 1.564 1.481 1 O-C-N 113.003 -6.06 . . . . 0.0 110.053 -176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -60.85 -37.52 82.36 Favored 'General case' 0 CA--C 1.451 -2.855 0 CA-C-N 111.321 -2.672 . . . . 0.0 114.95 167.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.57 -43.9 95.67 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 124.967 1.417 . . . . 0.0 113.987 172.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.15 96.39 Favored Glycine 0 N--CA 1.424 -2.157 0 O-C-N 119.218 -2.176 . . . . 0.0 111.535 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.36 95.74 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 119.979 -1.895 . . . . 0.0 112.608 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.15 -46.18 44.88 Favored 'General case' 0 C--O 1.253 1.265 0 C-N-CA 126.621 1.968 . . . . 0.0 113.488 163.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.35 -5.14 51.34 Favored 'General case' 0 N--CA 1.425 -1.717 0 O-C-N 117.174 -3.454 . . . . 0.0 111.199 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.95 -2.02 81.32 Favored Glycine 0 C--N 1.308 -0.985 1 CA-C-O 113.295 -4.058 . . . . 0.0 119.843 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 pt -79.01 159.65 4.56 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.335 0 O-C-N 127.584 2.579 . . . . 0.0 107.657 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -71.87 -40.09 69.2 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 127.436 2.295 . . . . 0.0 112.378 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.26 -178.77 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.393 0 C-N-CA 128.983 2.913 . . . . 0.0 110.847 -172.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 158.69 31.9 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 118.098 -2.876 . . . . 0.0 114.098 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.77 120.57 22.86 Favored 'General case' 0 N--CA 1.493 1.694 1 O-C-N 133.172 6.545 . . . . 0.0 109.188 172.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.81 -17.08 57.84 Favored 'General case' 0 C--N 1.392 2.429 0 N-CA-C 116.857 2.169 . . . . 0.0 116.857 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.1 p -154.29 160.61 41.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.949 165.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.8 t -151.07 143.07 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.884 0 C-N-CA 127.409 2.284 . . . . 0.0 106.002 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -123.8 148.23 46.87 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 118.603 -2.56 . . . . 0.0 111.569 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.0 mm -100.74 123.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 113.724 -1.58 . . . . 0.0 107.194 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.42 -42.39 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.555 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.882 -175.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.7 134.55 10.53 Favored Pre-proline 0 N--CA 1.41 -2.461 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -84.22 -29.07 0.98 Allowed 'Trans proline' 0 CA--C 1.572 2.382 1 C-N-CA 125.975 4.45 . . . . 0.0 115.908 -166.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.27 -126.07 12.75 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 117.11 -1.939 . . . . 0.0 114.732 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.94 -20.76 66.63 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 116.236 -1.84 . . . . 0.0 112.232 167.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.06 13.23 0.71 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 121.44 1.927 . . . . 0.0 114.142 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -47.65 -43.55 26.32 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 119.975 -1.703 . . . . 0.0 113.032 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -44.71 12.43 Favored 'General case' 0 C--O 1.286 2.992 0 C-N-CA 128.145 2.578 . . . . 0.0 109.552 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.8 tp -52.5 -45.89 66.41 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 125.063 2.363 . . . . 0.0 110.867 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.8 t -82.23 -23.99 9.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 116.679 -3.763 . . . . 0.0 111.308 -169.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -69.17 -46.59 67.16 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.424 -2.048 . . . . 0.0 113.766 165.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -65.52 -28.63 69.32 Favored 'General case' 1 N--CA 1.553 4.716 0 C-N-CA 117.112 -1.835 . . . . 0.0 113.071 -175.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 9.2 tp -76.54 -40.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 C-N-CA 117.996 -1.481 . . . . 0.0 110.216 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.83 87.1 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 119.754 -1.841 . . . . 0.0 115.018 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 40.8 ttm -62.08 -36.21 81.01 Favored 'General case' 0 C--O 1.278 2.572 0 O-C-N 120.396 -1.44 . . . . 0.0 107.98 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -71.03 -48.81 50.77 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 117.901 -3.0 . . . . 0.0 109.904 172.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 37.5 t -42.89 -38.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.377 1.799 0 CA-C-N 121.365 1.893 . . . . 0.0 114.306 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -60.39 -41.61 94.18 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 127.235 2.214 . . . . 0.0 109.971 -174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -88.64 -15.76 34.14 Favored 'General case' 0 CA--C 1.478 -1.818 0 CA-C-N 122.415 2.37 . . . . 0.0 116.63 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -46.49 35.05 Favored 'General case' 0 CA--C 1.599 2.859 0 O-C-N 119.009 -2.307 . . . . 0.0 110.123 170.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 41.3 ttm -63.21 -36.03 82.28 Favored 'General case' 0 N--CA 1.392 -3.34 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . 0.281 36.9 ttpt . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 128.169 2.588 . . . . 0.0 111.701 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.977 1 O4'-C1'-N19 117.486 9.286 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.05 2 C1'-O4'-C4' 104.63 -5.522 . 0.559 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.602 7.104 3 O4'-C1'-N19 115.967 7.767 . 0.682 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.484 5.437 1 O4'-C1'-N19 113.351 5.151 . 0.445 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 5 P--O5' 1.683 8.954 1 O4'-C1'-N19 113.768 5.568 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.573 4.475 0 O5'-C5'-C4' 114.528 3.091 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 5.184 3 C3'-C2'-C1' 108.425 7.694 . 0.364 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.464 " H2'" H5'' ' B' ' 10' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.573 4.543 1 C3'-C2'-C1' 105.234 4.148 . 0.381 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.464 H5'' " H2'" ' B' ' 9' ' ' ' C' . . . . . . . . 4 P--O3' 1.708 8.451 6 C3'-C2'-C1' 113.345 13.161 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.412 2 C3'-C2'-C1' 108.365 7.628 . 0.067 2[ . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.36 -7.772 3 C3'-C2'-C1' 95.469 -6.701 . 0.039 4d . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.53 1 O4'-C1'-N19 114.472 6.272 . 0.718 1b . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 C2'--C1' 1.586 5.768 2 C4'-C3'-O3' 98.998 -4.462 . 0.456 2a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.353 -8.362 2 C4'-C3'-C2' 95.141 -7.559 . 0.63 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.537 -5.816 2 C5'-C4'-O4' 115.488 4.492 . 0.556 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.587 5.606 1 N19-C1'-C2' 106.917 -4.052 . 0.812 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.464 -5.483 4 C3'-C2'-C1' 108.583 7.87 . 0.545 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.533 -6.16 2 C4'-C3'-C2' 96.099 -6.601 . 0.353 7r . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.491 6.447 3 C3'-C2'-C1' 95.374 -6.807 . 0.15 6p . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 2 C1'-O4'-C4' 104.994 -5.118 . 0.162 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.576 4.701 2 C4'-C3'-O3' 121.728 4.28 . 0.494 &a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.605 7.326 6 C4'-C3'-C2' 94.058 -8.642 . 0.236 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.4 2 C3'-C2'-C1' 106.183 5.203 . 0.59 1a . 0.0 . . . . . . . . . . 2 1 . 1 stop_ save_