data_2mfr_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mfr _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 HD11 HG22 ' A' ' 19' ' ' ILE . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 22' ' ' GLY . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 35' ' ' GLY . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.544 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG2' ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.827 0.346 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.463 0.649 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.517 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HZ2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 24' ' ' LEU . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HZ2' ' A' ' 18' ' ' LYS . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 37' ' ' ILE . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 25' ' ' ILE . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.462 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.765 0.317 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ILE . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.432 ' N ' HG21 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.776 0.322 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HZ3' ' CB ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.51 0.672 . . . . 0.0 109.554 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' CE1' ' A' ' 3' ' ' TYR . 13.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.76 0.314 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CE1' HG23 ' A' ' 2' ' ' THR . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 19' ' ' ILE . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 25' ' ' ILE . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.475 ' CG2' ' CE2' ' A' ' 3' ' ' TYR . 7.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 121.45 0.643 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 21' ' ' ILE . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.506 HG22 HD11 ' A' ' 25' ' ' ILE . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' A' ' 38' ' ' TYR . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' HG21 ' A' ' 34' ' ' ILE . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.402 0.62 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 19' ' ' ILE . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 8.9 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.405 ' H ' ' HG1' ' A' ' 7' ' ' THR . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' ' 25' ' ' ILE . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 34' ' ' ILE . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.442 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.777 0.323 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG2' ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.48 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.43 0.633 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.448 HG21 ' H ' ' A' ' 21' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' H ' HG21 ' A' ' 20' ' ' ILE . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 25' ' ' ILE . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' N ' HG22 ' A' ' 37' ' ' ILE . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 CA--C 1.513 -0.452 0 CA-C-O 121.516 0.675 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 21' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 22' ' ' GLY . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 37' ' ' ILE . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 121.585 0.707 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.458 HG23 HD13 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.522 ' H ' ' HG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.756 0.312 . . . . 0.0 110.532 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.565 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.48 0 CA-C-O 121.515 0.674 . . . . 0.0 109.482 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 22' ' ' GLY . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 39' ' ' LEU . 8.7 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p -76.63 -22.5 54.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -113.33 14.05 19.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -135.87 126.91 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.25 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.56 88.45 29.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.41 164.28 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.689 2.259 . . . . 0.0 111.804 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -57.4 -13.12 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -56.65 -28.23 60.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.882 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.4 mm -77.23 -21.37 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.239 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.72 -28.29 55.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.243 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -89.44 -30.11 18.55 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.116 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.567 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -50.76 26.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -66.08 -19.05 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.389 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.13 -12.68 61.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -100.54 -4.14 29.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.59 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -79.4 10.5 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HA ' HE21 ' A' ' 45' ' ' GLN . 0.9 OUTLIER -149.22 113.1 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.775 ' NE2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -68.58 155.4 92.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.405 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' C ' ' H ' ' A' ' 48' ' ' GLY . 54.0 Cg_endo -72.88 74.92 2.78 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.854 2.369 . . . . 0.0 112.143 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -57.33 -173.04 0.25 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 52.4 Cg_exo -49.81 108.74 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.79 2.327 . . . . 0.0 112.088 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 7.7 mp 59.11 142.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.565 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' CG ' ' H ' ' A' ' 52' ' ' HIS . 7.0 pm0 -91.44 -109.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.577 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER 37.99 -107.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.5 t60 40.1 26.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.631 ' C ' ' HD1' ' A' ' 55' ' ' HIS . 32.8 m170 -128.55 -162.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.631 ' HD1' ' C ' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -130.0 -59.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -70.36 114.98 9.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 4.1 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.828 0.347 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p -109.17 -4.08 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.83 8.74 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.12 126.97 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.115 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.81 137.63 29.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.46 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 15' ' ' ASN . 59.2 Cg_endo -75.19 141.63 26.32 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.571 2.181 . . . . 0.0 111.935 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -51.21 -13.4 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.716 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 13' ' ' PRO . 31.8 m120 -57.44 -26.94 61.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.108 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 25.5 mt -76.99 -23.6 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.495 0.664 . . . . 0.0 110.276 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 21' ' ' ILE . . . -76.49 -28.96 56.64 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.375 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -90.01 -28.99 18.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.352 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 HG22 HD11 ' A' ' 19' ' ' ILE . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 17' ' ' ALA . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 35' ' ' GLY . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.38 -28.0 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -73.93 -39.98 63.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.715 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 41' ' ' LEU . 3.3 mm? -63.31 -12.61 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.057 0.456 . . . . 0.0 110.682 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -4.28 59.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 44' ' ' ARG . 1.9 tttt -138.68 27.18 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.645 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 32.6 ttt-85 -50.19 -103.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 172.85 71.94 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 48' ' ' GLY . 52.9 Cg_endo -73.37 126.65 11.17 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.649 2.233 . . . . 0.0 112.226 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.248 0.547 . . . . 0.0 110.966 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 177.96 74.7 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.46 64.22 7.27 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.825 2.35 . . . . 0.0 112.132 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 40.34 53.73 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 24.3 tt0 -127.86 117.5 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 39.5 m80 -151.51 142.68 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.789 ' N ' ' HD1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 54.56 -158.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -60.48 140.77 57.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.538 ' O ' ' C ' ' A' ' 56' ' ' HIS . 7.1 t-80 -145.2 5.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.797 ' HD1' ' N ' ' A' ' 57' ' ' HIS . 18.3 p80 27.62 -122.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.797 ' N ' ' HD1' ' A' ' 56' ' ' HIS . 56.1 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p -82.79 -5.67 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.544 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.544 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.37 42.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -136.16 127.0 27.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.357 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 m -78.84 151.58 76.67 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -66.25 158.41 55.01 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.813 2.342 . . . . 0.0 111.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -70.91 -16.05 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.761 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.22 -29.34 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 76.1 mt -78.06 -18.13 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 110.172 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.73 -27.94 55.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.488 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -89.05 -29.29 19.54 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.236 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG2' ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' CD2' HH21 ' A' ' 42' ' ' ARG . 1.0 OUTLIER -44.3 -36.15 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -71.13 -35.92 71.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' TYR . 2.4 mp -71.85 -12.63 61.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.162 0.505 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.575 HH21 ' CD2' ' A' ' 39' ' ' LEU . 8.1 ttm180 -67.24 -8.17 29.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.781 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -108.59 17.1 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -59.11 162.26 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 15.4 tt0 71.68 53.4 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.622 ' C ' ' H ' ' A' ' 48' ' ' GLY . 39.3 Cg_endo -70.39 110.72 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.861 2.374 . . . . 0.0 111.954 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 26.1 t0 -67.55 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.241 0.544 . . . . 0.0 110.865 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -161.88 63.92 0.27 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 38.1 Cg_exo -52.89 115.99 2.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.723 2.282 . . . . 0.0 112.034 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.7 mt -100.42 174.81 5.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.45 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 52' ' ' HIS . 14.0 pm0 -119.56 -178.8 3.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' C ' ' O ' ' A' ' 51' ' ' GLU . 34.6 t-80 28.81 52.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 8.0 t-80 -145.82 75.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.456 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.743 ' CG ' ' H ' ' A' ' 55' ' ' HIS . 1.2 t60 -70.21 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.743 ' H ' ' CG ' ' A' ' 54' ' ' HIS . 9.2 t-80 -76.4 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -44.65 165.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' C ' ' CD2' ' A' ' 57' ' ' HIS . 3.4 t-160 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -41.46 -32.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.97 27.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -136.14 126.91 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m -45.87 146.28 2.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.09 148.69 45.06 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.601 2.201 . . . . 0.0 112.148 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -65.29 -11.82 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -55.74 -30.56 61.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.3 mt -77.6 -18.19 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 121.394 0.616 . . . . 0.0 110.156 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.92 -28.11 55.14 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.248 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -29.39 19.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.147 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.602 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CE1' ' NH1' ' A' ' 42' ' ' ARG . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt -43.97 -38.51 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -46.25 39.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -12.73 3.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' NH1' ' CE1' ' A' ' 38' ' ' TYR . 5.1 mtp85 -71.13 -4.14 23.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.622 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 8.8 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.41 124.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -147.86 63.32 7.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.6 Cg_endo -73.66 115.3 4.28 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.835 2.357 . . . . 0.0 112.119 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -67.69 38.73 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -130.43 51.74 0.85 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 29.7 Cg_endo -66.0 175.25 4.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.332 . . . . 0.0 112.111 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 6.3 tp 84.83 67.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -117.65 156.9 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.583 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.564 ' ND1' ' N ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -62.33 81.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' C ' ' CD2' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -165.53 173.41 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -16.14 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.41 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -172.18 70.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -96.67 -28.25 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.67 40.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -135.94 127.0 27.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.278 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.14 86.88 35.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.748 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.59 146.36 76.14 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.813 2.342 . . . . 0.0 111.851 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.7 p -67.79 -12.5 60.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.629 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -56.14 -29.14 60.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.0 mt -77.44 -22.19 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.64 53.17 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.568 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -89.79 -28.35 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.278 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -45.85 -42.17 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -67.59 -34.5 77.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.58 -12.89 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.474 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.583 ' C ' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -97.03 -5.45 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.428 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -68.47 13.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.583 ' H ' ' C ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.07 -18.94 61.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.595 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -145.07 74.0 14.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.611 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.2 Cg_exo -46.95 162.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.838 2.358 . . . . 0.0 112.317 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.79 38.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.218 0.532 . . . . 0.0 110.727 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 80.07 168.79 38.2 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.62 -177.47 3.11 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 36.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -43.19 -70.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.02 14.18 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.24 84.57 3.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.77 17.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.616 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 72.89 -144.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 3.1 t-160 -79.43 59.52 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' A' ' 56' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -37.88 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.409 ' C ' ' H ' ' A' ' 11' ' ' ASP . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.19 25.77 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 9' ' ' TYR . 10.6 t0 -136.18 127.14 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -43.18 104.13 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.584 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -51.27 139.22 44.87 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.457 2.105 . . . . 0.0 112.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 t -71.16 -15.99 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.496 ' H ' HD21 ' A' ' 15' ' ' ASN . 2.5 m-80 -56.36 -27.46 56.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 92.0 mt -77.25 -20.63 14.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.508 0.671 . . . . 0.0 110.086 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.8 -27.42 55.23 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.161 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -30.91 18.23 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.131 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.559 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -44.12 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -63.33 -31.18 72.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -72.82 -12.71 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -90.87 -6.17 54.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' ARG . 22.7 tttt -88.14 25.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.402 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' LYS . 10.3 mtt85 36.95 63.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 47' ' ' ASP . 3.2 mt-30 -89.75 -59.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 48' ' ' GLY . 41.8 Cg_endo -70.23 30.28 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.742 2.295 . . . . 0.0 111.984 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -67.51 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 158.72 157.72 8.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -70.95 -165.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.699 2.266 . . . . 0.0 112.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD11 ' H ' ' A' ' 50' ' ' LEU . 4.7 mp -89.0 -15.42 34.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.71 105.37 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' HD1' ' HA ' ' A' ' 52' ' ' HIS . 1.8 m-70 -93.9 -4.12 50.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.706 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.635 ' H ' ' ND1' ' A' ' 53' ' ' HIS . 1.6 p-80 -103.38 146.79 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -149.28 -175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 m-70 -54.93 -37.94 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.46 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -96.24 136.82 36.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.479 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.336 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t -71.34 2.22 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.517 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.65 43.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -132.06 127.06 35.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.13 70.74 78.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.07 139.08 26.44 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.87 2.38 . . . . 0.0 112.26 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.5 p -66.72 -11.34 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.646 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -55.05 -29.75 58.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.598 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 5.2 mt -77.29 -20.67 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.51 0.671 . . . . 0.0 109.815 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 21' ' ' ILE . . . -77.24 -24.78 51.15 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.515 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HZ2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -89.11 -29.0 19.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.091 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.598 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 24' ' ' LEU . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HZ2' ' A' ' 18' ' ' LYS . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 37' ' ' ILE . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -43.74 -46.79 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.59 -31.98 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -74.44 -12.69 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.448 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -69.03 -7.15 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 44' ' ' ARG . 20.4 mttt -119.6 8.87 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER 32.82 -147.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 41.22 68.13 2.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.4 Cg_endo -78.37 -40.67 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.823 2.349 . . . . 0.0 112.255 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 18.9 t70 -67.82 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.927 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.65 175.74 36.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 51' ' ' GLU . 50.6 Cg_exo -49.6 104.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.765 2.31 . . . . 0.0 111.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.4 mt -69.94 49.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 50' ' ' LEU . 72.8 mm-40 27.63 61.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -49.43 124.56 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.91 -174.78 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -63.9 -51.99 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -98.96 167.73 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -64.3 -76.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.494 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.1 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mtp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.853 0.358 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -21.01 20.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 11' ' ' ASP . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.8 40.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 9' ' ' TYR . 3.4 t70 -136.09 126.95 27.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.279 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -115.45 88.25 18.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.7 152.98 11.96 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.75 2.3 . . . . 0.0 112.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -71.09 -11.57 61.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -55.28 -29.57 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.28 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -77.7 -21.43 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.446 0.641 . . . . 0.0 110.062 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.48 52.39 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.823 -1.081 . . . . 0.0 110.02 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -89.42 -28.32 19.82 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.145 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 25' ' ' ILE . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.462 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.4 mt -45.68 -46.43 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -29.0 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.147 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -76.87 -12.69 60.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.359 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.84 -13.98 40.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -103.6 8.4 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.291 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -85.19 30.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 2.3 mt-30 -73.23 -52.56 5.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.607 ' C ' ' H ' ' A' ' 48' ' ' GLY . 78.1 Cg_exo -45.56 144.15 5.35 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.821 2.348 . . . . 0.0 112.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.54 38.85 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.248 0.547 . . . . 0.0 110.772 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 81.46 176.47 51.02 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -51.42 99.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.127 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 141.88 35.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -70.95 153.48 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -89.01 129.13 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.729 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' C ' ' A' ' 54' ' ' HIS . 1.5 t-80 -164.87 -121.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' C ' ' O ' ' A' ' 53' ' ' HIS . 30.0 m170 31.1 52.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 3.3 t-160 -51.3 -54.54 25.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.642 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.642 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.3 t-80 148.86 -4.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.9 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m -78.63 -36.13 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.27 34.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.23 127.09 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.374 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.85 148.97 35.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.42 135.03 27.91 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.747 2.298 . . . . 0.0 112.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -13.67 18.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -56.58 -27.85 58.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 37.7 mt -76.99 -21.89 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-O 121.452 0.644 . . . . 0.0 110.206 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.01 -26.71 54.12 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -89.52 -28.99 19.26 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.092 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ILE . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp -44.19 -48.71 9.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.27 -37.14 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.478 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mp -84.4 -12.53 54.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -88.4 -4.26 58.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.809 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 29.96 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.486 ' O ' ' O ' ' A' ' 45' ' ' GLN . 1.3 ttt180 -86.8 83.04 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.339 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 44' ' ' ARG . 2.0 mp0 57.71 143.86 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.443 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' C ' ' H ' ' A' ' 48' ' ' GLY . 89.0 Cg_exo -40.34 147.11 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.59 2.193 . . . . 0.0 112.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.49 38.97 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 152.55 91.29 0.08 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 69.0 Cg_endo -80.31 139.45 13.12 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.846 2.364 . . . . 0.0 112.08 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 5.7 tp 79.51 53.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -38.09 157.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 52' ' ' HIS . 7.8 m-70 -94.9 -161.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.443 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -109.37 178.84 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -73.42 -158.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 57' ' ' HIS . 11.5 t-80 -167.62 -59.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 33.34 -93.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.442 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t -103.32 -8.85 19.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.97 37.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -133.76 126.84 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.073 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -59.36 147.96 74.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 15' ' ' ASN . 53.5 Cg_endo -72.61 152.3 53.57 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.767 2.311 . . . . 0.0 111.964 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -12.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 13' ' ' PRO . 8.3 m120 -56.05 -29.58 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 20.4 mm -77.49 -20.24 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.456 0.646 . . . . 0.0 109.986 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.85 -24.89 52.66 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.16 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -89.28 -29.1 19.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.604 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -45.09 -41.85 8.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -25.41 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -71.96 -12.63 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.652 ' C ' ' H ' ' A' ' 44' ' ' ARG . 21.9 ttp180 -62.07 -3.88 1.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 44' ' ' ARG . 5.2 ptmm? -60.42 10.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.652 ' H ' ' C ' ' A' ' 42' ' ' ARG . 6.8 ttp180 -26.24 130.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -163.35 148.17 9.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.605 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.2 Cg_exo -40.61 150.64 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.719 2.279 . . . . 0.0 112.182 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -67.98 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.23 0.538 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -90.57 -174.36 44.52 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.066 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' N ' ' A' ' 51' ' ' GLU . 56.5 Cg_endo -74.73 111.07 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.845 2.363 . . . . 0.0 112.082 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 50' ' ' LEU . 7.5 mp -40.25 -19.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.586 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.4 pt-20 -110.32 165.96 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 49.6 t-80 -178.93 33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -91.66 23.56 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.656 ' ND1' ' H ' ' A' ' 55' ' ' HIS . 5.8 t60 -167.04 152.9 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.656 ' H ' ' ND1' ' A' ' 54' ' ' HIS . 16.5 m80 -99.29 177.51 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -127.39 22.88 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -104.1 10.67 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.546 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 2.3 mt -95.53 41.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 9.7 m-20 -136.14 127.07 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -165.78 92.64 0.85 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.28 139.37 73.09 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.683 2.255 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -62.06 -12.09 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -28.75 58.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.811 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 34.2 mt -77.32 -20.08 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.48 0.657 . . . . 0.0 110.132 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' O ' ' CG2' ' A' ' 21' ' ' ILE . . . -75.6 -29.18 59.16 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.639 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HZ3' ' CB ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -90.6 -31.33 16.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.554 179.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.621 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.576 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' ARG . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -57.34 -43.25 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -74.34 -30.39 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' LYS . 2.6 tp -87.06 -12.97 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.685 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TYR . 44.3 ttt180 -52.26 -7.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' ARG . 8.3 pttm -76.26 -2.64 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.4 mtt180 22.53 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 52.87 80.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.628 ' C ' ' H ' ' A' ' 48' ' ' GLY . 17.1 Cg_exo -63.55 -8.63 15.62 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.815 2.344 . . . . 0.0 111.797 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 41.2 p30 -67.35 38.42 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.628 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -52.58 166.15 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.98 41.41 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.753 2.302 . . . . 0.0 112.078 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' O ' ' N ' ' A' ' 52' ' ' HIS . 4.1 mt -85.0 -46.87 10.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 44.28 10.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.736 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.624 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 50.02 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 19.0 t60 -135.87 -3.73 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -50.95 -26.02 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.663 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -124.93 164.43 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -93.3 -176.93 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' CE1' ' A' ' 3' ' ' TYR . 13.8 t -103.57 0.42 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CE1' HG23 ' A' ' 2' ' ' THR . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -133.02 18.95 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.96 127.21 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 m -47.82 145.37 4.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -70.64 159.91 51.2 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.589 2.193 . . . . 0.0 112.05 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -13.88 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -56.2 -27.75 55.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.784 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 45.0 mm -76.74 -21.56 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 109.839 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.06 -24.07 51.96 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -89.12 -27.64 20.6 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.213 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 19' ' ' ILE . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 25' ' ' ILE . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -34.37 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -74.03 -30.12 62.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.0 -12.87 59.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.9 -9.92 21.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.401 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -108.3 10.44 27.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.236 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -147.99 7.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' C ' ' H ' ' A' ' 47' ' ' ASP . 7.9 tt0 -148.48 57.15 2.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 48' ' ' GLY . 32.9 Cg_endo -66.95 20.97 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.829 2.353 . . . . 0.0 112.181 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.562 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -68.03 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.317 0.579 . . . . 0.0 110.856 -179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 53.13 72.22 0.57 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.96 169.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.893 2.395 . . . . 0.0 112.203 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -103.35 34.84 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 64.65 155.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.627 ' ND1' ' H ' ' A' ' 52' ' ' HIS . 1.2 p-80 -103.1 145.1 30.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.499 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 55' ' ' HIS . 11.8 t60 -143.99 130.25 19.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 55' ' ' HIS . 21.9 t-80 -115.96 102.84 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 13.5 m-70 33.03 -112.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.58 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -111.05 -145.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' ND1' ' N ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.51 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.475 ' CG2' ' CE2' ' A' ' 3' ' ' TYR . 7.5 t -97.64 -14.83 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.493 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.519 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.38 34.35 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 127.19 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.393 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.34 153.22 0.57 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.731 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.66 152.47 80.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.844 2.362 . . . . 0.0 112.133 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' ALA . 57.9 m -63.53 -11.63 25.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 4.2 mt -77.75 -17.23 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 109.909 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' SER . . . -76.05 -29.58 58.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.603 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -90.81 -31.58 16.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.51 HG21 HD12 ' A' ' 21' ' ' ILE . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.506 HG22 HD11 ' A' ' 25' ' ' ILE . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' A' ' 38' ' ' TYR . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' HG21 ' A' ' 34' ' ' ILE . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -28.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.52 -44.4 82.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' TYR . 38.6 mt -65.57 -12.81 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.46 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -74.45 -4.54 37.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -89.18 4.54 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.79 147.4 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.69 74.45 64.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.639 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.618 ' C ' ' H ' ' A' ' 48' ' ' GLY . 60.9 Cg_endo -77.52 29.49 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.933 2.422 . . . . 0.0 112.188 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' OD2' ' A' ' 47' ' ' ASP . 3.2 p-10 -67.93 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.23 0.538 . . . . 0.0 110.746 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 62.09 61.27 6.84 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -79.21 12.69 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.005 2.47 . . . . 0.0 112.249 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.47 -41.02 84.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 54.44 -109.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.629 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.05 150.0 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.674 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 22.3 m80 -87.46 34.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.434 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 t60 78.78 117.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.548 ' HD1' ' CE1' ' A' ' 56' ' ' HIS . 7.7 t-80 -152.97 169.58 22.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.548 ' CE1' ' HD1' ' A' ' 55' ' ' HIS . 8.0 m-70 75.01 69.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -104.92 -18.74 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.517 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.43 12.21 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -136.17 127.08 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -89.01 146.17 35.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.406 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 15' ' ' ASN . 57.9 Cg_endo -73.95 135.13 20.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.596 2.197 . . . . 0.0 112.227 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 p -50.26 -12.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.434 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 13' ' ' PRO . 31.7 m120 -55.88 -28.35 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 42.9 mm -77.12 -19.5 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.573 0.701 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.98 -29.06 58.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.299 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -91.33 -28.98 17.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 19' ' ' ILE . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG22 HD13 ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 8.9 mp -46.36 -43.84 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -68.92 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 43' ' ' LYS . 27.5 mt -81.2 -12.81 59.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.129 0.49 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.22 -4.49 0.55 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.72 12.66 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 44' ' ' ARG . 12.4 ptt-85 -96.05 27.81 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . 5.7 mm100 36.78 81.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.617 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.1 Cg_exo -47.49 84.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.703 2.268 . . . . 0.0 112.141 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 4.5 p30 -67.86 38.72 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.14 -75.79 0.56 Allowed Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.211 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -43.87 131.33 8.01 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.817 2.345 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.73 89.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 14.5 pt-20 -102.09 42.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -92.05 74.23 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.218 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.637 ' H ' ' ND1' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -113.44 -160.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.664 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -124.32 -178.84 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -169.01 119.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 92.06 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 110.626 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -59.27 -7.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' H ' ' C ' ' A' ' 1' ' ' MET . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.405 ' H ' ' HG1' ' A' ' 7' ' ' THR . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.71 26.16 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.04 126.96 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.65 148.88 3.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.74 147.72 81.69 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.708 2.272 . . . . 0.0 112.094 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.64 -29.34 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.841 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.486 HD13 HG21 ' A' ' 16' ' ' ILE . 37.0 mt -77.41 -20.55 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.368 0.604 . . . . 0.0 109.989 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.108 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -89.77 -28.29 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.068 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' ' 25' ' ' ILE . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 34' ' ' ILE . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.442 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.67 -46.39 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.49 -20.4 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD22 ' CE1' ' A' ' 38' ' ' TYR . 4.2 tp -69.54 -12.59 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 44' ' ' ARG . 5.6 mtp85 -73.95 -6.45 47.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.96 31.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 42' ' ' ARG . 1.2 ptm180 -58.09 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 1.6 tm0? -55.92 -46.9 99.69 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.625 ' C ' ' H ' ' A' ' 48' ' ' GLY . 44.9 Cg_exo -52.12 114.17 1.52 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.727 2.285 . . . . 0.0 112.115 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.69 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 0.0 110.783 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.625 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 85.72 173.92 49.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLY . 72.0 Cg_exo -43.44 -179.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.856 2.371 . . . . 0.0 112.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.03 86.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -117.88 120.74 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.62 ' ND1' ' H ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -88.5 143.2 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -84.99 158.96 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -146.02 -17.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.627 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.22 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.517 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.17 97.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.9 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -92.95 9.54 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.2 43.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.37 126.87 32.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.31 90.63 34.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.54 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 15' ' ' ASN . 40.6 Cg_exo -52.65 156.99 8.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 0.0 112.217 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 p -55.56 -11.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 13' ' ' PRO . 11.9 m-80 -54.75 -29.07 52.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.12 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.8 mp -77.37 -20.1 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.522 0.677 . . . . 0.0 110.034 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.6 -27.04 55.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.227 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -28.18 20.18 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.056 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.528 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG2' ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.15 -35.45 64.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.27 -27.5 65.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.287 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 43' ' ' LYS . 4.3 mt -82.43 -12.63 57.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.123 0.487 . . . . 0.0 110.436 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -60.1 -7.28 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.526 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -92.25 3.33 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -62.61 76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 31.4 mt-30 -145.72 69.02 13.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.61 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.5 Cg_exo -43.96 120.35 2.38 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.86 2.373 . . . . 0.0 112.181 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.45 38.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.945 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 52.69 72.82 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.62 88.04 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.9 2.4 . . . . 0.0 112.202 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.9 mm? 58.29 16.64 4.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.4 tm-20 -28.4 102.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -95.33 61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 14.8 m-70 39.69 -124.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.432 ' C ' ' H ' ' A' ' 56' ' ' HIS . 33.7 m170 -88.36 -177.74 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -78.18 37.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.54 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.0 m-70 47.76 52.1 13.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -82.55 6.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 7.7 mp -92.44 12.6 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 26.3 m-20 -136.32 127.23 27.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.143 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.38 84.88 15.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -52.98 134.23 54.75 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.9 2.4 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -66.4 -13.14 60.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.375 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.44 -26.05 52.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.967 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.65 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 48.8 mt -76.15 -21.85 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.537 0.684 . . . . 0.0 110.029 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' A' ' 21' ' ' ILE . . . -75.91 -30.39 58.76 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.164 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -90.76 -31.94 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.549 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.65 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' H ' HG21 ' A' ' 20' ' ' ILE . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 25' ' ' ILE . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' N ' HG22 ' A' ' 37' ' ' ILE . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -51.77 -35.86 45.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -28.44 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.38 -12.76 48.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -61.97 -9.08 6.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.157 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -93.93 1.5 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.389 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' CG ' ' H ' ' A' ' 45' ' ' GLN . 6.5 tpp180 -144.44 -158.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' H ' ' CG ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER 29.5 72.99 0.45 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.597 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.6 Cg_exo -51.45 101.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.815 2.343 . . . . 0.0 111.934 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -67.73 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.597 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 120.18 -168.65 13.82 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -52.69 149.03 26.06 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.748 2.298 . . . . 0.0 112.056 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 114.58 14.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -163.9 103.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 33.7 m-70 -57.36 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 88.1 -157.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.535 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.793 ' HE2' ' HD1' ' A' ' 56' ' ' HIS . 36.8 t-80 -68.43 146.86 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.7 OUTLIER -146.96 -68.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.793 ' HD1' ' HE2' ' A' ' 54' ' ' HIS . 25.8 m170 31.43 77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.0 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.551 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.727 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.6 m -89.97 -12.31 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -83.63 41.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -136.03 126.74 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.217 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -71.81 148.92 92.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.33 141.56 62.69 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.738 2.292 . . . . 0.0 112.081 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 17' ' ' ALA . 29.7 p -55.96 -11.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.1 -30.91 60.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.609 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 69.0 mt -77.82 -17.17 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.619 0.723 . . . . 0.0 109.833 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 21' ' ' ILE . . . -76.21 -29.08 57.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -90.69 -31.44 16.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.516 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.609 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.567 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 37' ' ' ILE . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.34 -49.38 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.22 -31.96 73.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.02 -12.68 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.5 tpt180 -63.86 -12.67 38.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.524 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.84 11.29 36.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.272 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -65.81 130.17 42.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -124.13 148.09 56.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.612 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.3 Cg_endo -71.77 68.76 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.724 2.283 . . . . 0.0 111.965 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 23.9 t70 -67.45 38.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 111.053 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -59.7 -168.26 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.47 116.73 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.738 2.292 . . . . 0.0 112.018 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' GLU . 5.6 mt -86.14 25.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 50' ' ' LEU . 4.2 tt0 60.48 138.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.475 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.1 130.55 46.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 176.13 170.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -87.73 20.17 3.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.662 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -109.75 -57.98 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -117.84 21.06 13.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.567 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t -78.73 -33.23 46.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -128.36 17.61 6.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.99 127.25 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -88.12 147.98 41.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.546 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -71.99 136.58 27.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.677 2.251 . . . . 0.0 112.161 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.4 t -58.65 -12.46 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.687 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -55.88 -29.46 60.0 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.649 ' O ' ' CG2' ' A' ' 20' ' ' ILE . 1.4 mp -77.39 -18.3 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.37 0.605 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.47 59.14 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -90.7 -33.95 15.58 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.519 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.649 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.522 ' H ' ' HG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.524 ' HH ' ' CD ' ' A' ' 42' ' ' ARG . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -44.01 -37.55 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -47.03 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.221 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.43 -13.25 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.24 0.543 . . . . 0.0 110.392 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CD ' ' HH ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -102.94 -9.38 19.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.785 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' GLN . 28.8 tttt -86.88 19.37 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.49 83.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 2.8 tt0 -164.79 46.55 0.16 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.626 ' C ' ' H ' ' A' ' 48' ' ' GLY . 47.1 Cg_endo -71.65 -26.89 19.11 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.622 2.215 . . . . 0.0 111.96 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLY . 21.7 p30 -67.3 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.626 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -31.77 -75.13 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.072 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.484 ' O ' ' O ' ' A' ' 48' ' ' GLY . 86.5 Cg_exo -40.57 171.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 0.0 112.273 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mp -129.76 81.88 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.556 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 63.78 -148.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -136.15 -44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 54' ' ' HIS . 15.5 m170 -51.98 123.31 10.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' C ' ' O ' ' A' ' 53' ' ' HIS . 8.7 m-70 -31.57 -60.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.536 ' CG ' ' H ' ' A' ' 56' ' ' HIS . 16.0 p-80 -112.24 -122.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.508 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' H ' ' CG ' ' A' ' 55' ' ' HIS . 8.8 t-80 77.28 12.76 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.616 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.544 ' HD1' ' C ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -90.33 -36.84 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.565 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 11' ' ' ASP . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.82 16.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -135.92 126.83 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 m -53.44 151.87 9.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.478 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.545 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.2 Cg_endo -69.11 135.22 31.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.835 2.357 . . . . 0.0 112.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 p -44.93 -14.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 13' ' ' PRO . 2.4 m120 -56.61 -27.69 58.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.629 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 13.6 mm -77.14 -23.1 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.383 0.611 . . . . 0.0 110.272 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.551 ' O ' ' CG2' ' A' ' 21' ' ' ILE . . . -76.55 -26.22 54.9 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -29.09 18.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.482 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.629 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 39' ' ' LEU . 8.7 mp -44.57 -45.22 9.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -45.54 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.289 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.23 -12.7 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.322 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -81.83 -9.38 59.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.667 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HZ1' ' HB3' ' A' ' 43' ' ' LYS . 5.7 mtpm? -95.34 28.4 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.407 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.3 ttm-85 -151.12 -32.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 21.28 91.0 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.114 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.601 ' C ' ' H ' ' A' ' 48' ' ' GLY . 37.1 Cg_exo -52.88 93.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.645 2.23 . . . . 0.0 112.129 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -67.75 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.298 0.571 . . . . 0.0 110.766 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.601 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 51.44 66.17 2.7 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 17.6 Cg_exo -62.57 5.64 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.927 2.418 . . . . 0.0 111.956 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 48' ' ' GLY . 5.1 mt -65.84 -24.02 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -100.65 117.0 33.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -169.17 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.37 12.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -77.69 113.32 15.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.411 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 8.3 m80 40.32 -112.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.589 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.411 ' CG ' ' C ' ' A' ' 55' ' ' HIS . 2.2 p-80 171.34 50.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 10' ' ' LEU . 70.0 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' LEU . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 22' ' ' GLY . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' HD12 ' A' ' 21' ' ' ILE . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 29' ' ' LEU . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 33' ' ' VAL . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.766 ' O ' HG22 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 28' ' ' PHE . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.827 0.346 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 28' ' ' PHE . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.463 0.649 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG22 HG12 ' A' ' 25' ' ' ILE . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 21' ' ' ILE . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 28' ' ' PHE . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' ILE . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 28' ' ' PHE . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' PHE . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.583 HD12 HG12 ' A' ' 33' ' ' VAL . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.486 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 6' ' ' VAL . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 24' ' ' LEU . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 28' ' ' PHE . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' O ' HG23 ' A' ' 7' ' ' THR . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' TYR . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 30' ' ' PHE . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' LEU . 72.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.765 0.317 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 24' ' ' LEU . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.408 HD11 HG12 ' A' ' 21' ' ' ILE . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.776 0.322 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.51 0.672 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' LEU . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.603 ' N ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.76 0.314 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 ' H ' HG22 ' A' ' 27' ' ' VAL . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 37' ' ' ILE . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 33' ' ' VAL . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 3' ' ' TYR . 7.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 121.45 0.643 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 19' ' ' ILE . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 20' ' ' ILE . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' PHE . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 10' ' ' LEU . 67.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.402 0.62 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 25' ' ' ILE . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.9 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 19' ' ' ILE . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 39' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.777 0.323 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 32' ' ' VAL . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.713 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.43 0.633 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.517 HG23 ' N ' ' A' ' 21' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.517 ' N ' HG23 ' A' ' 20' ' ' ILE . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 29' ' ' LEU . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 34' ' ' ILE . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PHE . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 30' ' ' PHE . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 2' ' ' THR . 59.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 CA--C 1.513 -0.452 0 CA-C-O 121.516 0.675 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 21' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 20' ' ' ILE . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 25' ' ' ILE . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' PHE . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 7' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 121.585 0.707 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 29' ' ' LEU . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 HG12 ' A' ' 33' ' ' VAL . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.756 0.312 . . . . 0.0 110.532 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' N ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.48 0 CA-C-O 121.515 0.674 . . . . 0.0 109.482 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 19' ' ' ILE . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 34' ' ' ILE . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p -76.63 -22.5 54.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 10' ' ' LEU . 70.0 mt -113.33 14.05 19.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -135.87 126.91 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.25 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.56 88.45 29.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.41 164.28 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.689 2.259 . . . . 0.0 111.804 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -57.4 -13.12 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -56.65 -28.23 60.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.882 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.4 mm -77.23 -21.37 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.239 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.756 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.72 -28.29 55.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -89.44 -30.11 18.55 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.116 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.567 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 17' ' ' ALA . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' LEU . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 37' ' ' ILE . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -50.76 26.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -66.08 -19.05 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.389 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.13 -12.68 61.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -100.54 -4.14 29.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.59 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -79.4 10.5 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -149.22 113.1 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.571 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -68.58 155.4 92.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.405 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 48' ' ' GLY . 54.0 Cg_endo -72.88 74.92 2.78 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.854 2.369 . . . . 0.0 112.143 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -57.33 -173.04 0.25 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 52.4 Cg_exo -49.81 108.74 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.79 2.327 . . . . 0.0 112.088 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.7 mp 59.11 142.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.565 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CG ' ' H ' ' A' ' 52' ' ' HIS . 7.0 pm0 -91.44 -109.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.528 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER 37.99 -107.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.5 t60 40.1 26.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 52' ' ' HIS . 32.8 m170 -128.55 -162.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -130.0 -59.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -70.36 114.98 9.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 4.1 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.828 0.347 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p -109.17 -4.08 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.83 8.74 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.12 126.97 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.115 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.81 137.63 29.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.46 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 15' ' ' ASN . 59.2 Cg_endo -75.19 141.63 26.32 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.571 2.181 . . . . 0.0 111.935 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -51.21 -13.4 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.716 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' PRO . 31.8 m120 -57.44 -26.94 61.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.108 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 25.5 mt -76.99 -23.6 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.495 0.664 . . . . 0.0 110.276 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 21' ' ' ILE . . . -76.49 -28.96 56.64 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.375 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -90.01 -28.99 18.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.352 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 22' ' ' GLY . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' HD12 ' A' ' 21' ' ' ILE . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 29' ' ' LEU . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 33' ' ' VAL . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.38 -28.0 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -73.93 -39.98 63.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.715 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HA ' HD13 ' A' ' 41' ' ' LEU . 3.3 mm? -63.31 -12.61 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.057 0.456 . . . . 0.0 110.682 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -4.28 59.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 44' ' ' ARG . 1.9 tttt -138.68 27.18 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.645 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 32.6 ttt-85 -50.19 -103.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 172.85 71.94 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' C ' ' H ' ' A' ' 48' ' ' GLY . 52.9 Cg_endo -73.37 126.65 11.17 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.649 2.233 . . . . 0.0 112.226 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.248 0.547 . . . . 0.0 110.966 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 177.96 74.7 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.46 64.22 7.27 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.825 2.35 . . . . 0.0 112.132 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 40.34 53.73 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -127.86 117.5 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -151.51 142.68 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.689 ' N ' ' ND1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 54.56 -158.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -60.48 140.77 57.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.538 ' O ' ' C ' ' A' ' 56' ' ' HIS . 7.1 t-80 -145.2 5.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' A' ' 57' ' ' HIS . 18.3 p80 27.62 -122.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.635 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 56.1 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p -82.79 -5.67 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.37 42.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -136.16 127.0 27.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.357 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 16' ' ' ILE . 1.8 m -78.84 151.58 76.67 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -66.25 158.41 55.01 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.813 2.342 . . . . 0.0 111.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 4.2 m -70.91 -16.05 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.761 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -56.22 -29.34 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 76.1 mt -78.06 -18.13 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 110.172 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.73 -27.94 55.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -89.05 -29.29 19.54 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.236 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.766 ' O ' HG22 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 28' ' ' PHE . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.593 ' CD2' HH21 ' A' ' 42' ' ' ARG . 1.0 OUTLIER -44.3 -36.15 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -71.13 -35.92 71.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' TYR . 2.4 mp -71.85 -12.63 61.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.162 0.505 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.593 HH21 ' CD2' ' A' ' 39' ' ' LEU . 8.1 ttm180 -67.24 -8.17 29.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.781 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -108.59 17.1 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -59.11 162.26 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 15.4 tt0 71.68 53.4 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 48' ' ' GLY . 39.3 Cg_endo -70.39 110.72 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.861 2.374 . . . . 0.0 111.954 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 26.1 t0 -67.55 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.241 0.544 . . . . 0.0 110.865 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -161.88 63.92 0.27 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 38.1 Cg_exo -52.89 115.99 2.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.723 2.282 . . . . 0.0 112.034 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.7 mt -100.42 174.81 5.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.45 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 52' ' ' HIS . 14.0 pm0 -119.56 -178.8 3.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' C ' ' O ' ' A' ' 51' ' ' GLU . 34.6 t-80 28.81 52.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 8.0 t-80 -145.82 75.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.456 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.746 ' CG ' ' H ' ' A' ' 55' ' ' HIS . 1.2 t60 -70.21 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.746 ' H ' ' CG ' ' A' ' 54' ' ' HIS . 9.2 t-80 -76.4 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -44.65 165.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -41.46 -32.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.97 27.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -136.14 126.91 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m -45.87 146.28 2.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.09 148.69 45.06 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.601 2.201 . . . . 0.0 112.148 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.9 t -65.29 -11.82 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -55.74 -30.56 61.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.3 mt -77.6 -18.19 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 121.394 0.616 . . . . 0.0 110.156 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.92 -28.11 55.14 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -29.39 19.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.147 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.602 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 17' ' ' ALA . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 28' ' ' PHE . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 37' ' ' ILE . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CE1' ' NH1' ' A' ' 42' ' ' ARG . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt -43.97 -38.51 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -46.25 39.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -57.76 -12.73 3.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' NH1' ' CE1' ' A' ' 38' ' ' TYR . 5.1 mtp85 -71.13 -4.14 23.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.622 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 8.8 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.41 124.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -147.86 63.32 7.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.591 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.6 Cg_endo -73.66 115.3 4.28 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.835 2.357 . . . . 0.0 112.119 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -67.69 38.73 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -130.43 51.74 0.85 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 29.7 Cg_endo -66.0 175.25 4.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.332 . . . . 0.0 112.111 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 6.3 tp 84.83 67.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -117.65 156.9 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.583 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.564 ' N ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -62.33 81.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -165.53 173.41 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -16.14 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.41 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -172.18 70.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -96.67 -28.25 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.67 40.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -135.94 127.0 27.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.278 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 12' ' ' VAL . 3.5 p -134.14 86.88 35.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.748 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.59 146.36 76.14 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.813 2.342 . . . . 0.0 111.851 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.7 p -67.79 -12.5 60.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.629 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -56.14 -29.14 60.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.0 mt -77.44 -22.19 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.64 53.17 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.568 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -89.79 -28.35 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.278 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG22 HG12 ' A' ' 25' ' ' ILE . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 21' ' ' ILE . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 29' ' ' LEU . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 28' ' ' PHE . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -45.85 -42.17 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -67.59 -34.5 77.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -70.58 -12.89 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' C ' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -97.03 -5.45 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.428 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -68.47 13.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.07 -18.94 61.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.595 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -145.07 74.0 14.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.2 Cg_exo -46.95 162.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.838 2.358 . . . . 0.0 112.317 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.79 38.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.218 0.532 . . . . 0.0 110.727 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 80.07 168.79 38.2 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.62 -177.47 3.11 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 36.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -43.19 -70.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.02 14.18 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.24 84.57 3.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.77 17.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.616 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 72.89 -144.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 5.5 t-80 -79.43 59.52 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' A' ' 56' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -37.88 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -81.19 25.77 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -136.18 127.14 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -43.18 104.13 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.584 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -51.27 139.22 44.87 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.457 2.105 . . . . 0.0 112.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.3 t -71.16 -15.99 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -56.36 -27.46 56.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 92.0 mt -77.25 -20.63 14.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.508 0.671 . . . . 0.0 110.086 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.8 -27.42 55.23 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.161 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -30.91 18.23 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.131 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' ILE . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 28' ' ' PHE . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' PHE . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.583 HD12 HG12 ' A' ' 33' ' ' VAL . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -44.12 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -63.33 -31.18 72.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -72.82 -12.71 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -90.87 -6.17 54.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' ARG . 22.7 tttt -88.14 25.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.402 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' LYS . 10.3 mtt85 36.95 63.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' H ' ' HD2' ' A' ' 46' ' ' PRO . 3.2 mt-30 -89.75 -59.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 41.8 Cg_endo -70.23 30.28 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.742 2.295 . . . . 0.0 111.984 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -67.51 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 158.72 157.72 8.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -70.95 -165.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.699 2.266 . . . . 0.0 112.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 50' ' ' LEU . 4.7 mp -89.0 -15.42 34.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.71 105.37 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.9 -4.12 50.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.706 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.541 ' N ' ' ND1' ' A' ' 53' ' ' HIS . 1.6 p-80 -103.38 146.79 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -149.28 -175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 m-70 -54.93 -37.94 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.46 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -96.24 136.82 36.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.479 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.336 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t -71.34 2.22 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 6' ' ' VAL . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.65 43.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -132.06 127.06 35.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.13 70.74 78.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.07 139.08 26.44 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.87 2.38 . . . . 0.0 112.26 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 89.5 p -66.72 -11.34 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.629 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -55.05 -29.75 58.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.598 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 5.2 mt -77.29 -20.67 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.51 0.671 . . . . 0.0 109.815 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.24 -24.78 51.15 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.515 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -29.0 19.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.091 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.598 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 28' ' ' PHE . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' LEU . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -43.74 -46.79 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.59 -31.98 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -74.44 -12.69 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.448 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -69.03 -7.15 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 44' ' ' ARG . 20.4 mttt -119.6 8.87 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER 32.82 -147.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 41.22 68.13 2.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.4 Cg_endo -78.37 -40.67 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.823 2.349 . . . . 0.0 112.255 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 18.9 t70 -67.82 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.927 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.65 175.74 36.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 51' ' ' GLU . 50.6 Cg_exo -49.6 104.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.765 2.31 . . . . 0.0 111.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.4 mt -69.94 49.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 50' ' ' LEU . 72.8 mm-40 27.63 61.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -49.43 124.56 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.91 -174.78 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -63.9 -51.99 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -98.96 167.73 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -64.3 -76.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.494 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.1 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mtp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.853 0.358 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -21.01 20.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' O ' HG23 ' A' ' 7' ' ' THR . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' TYR . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' ASP . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 mt -74.8 40.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' TYR . 3.4 t70 -136.09 126.95 27.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.279 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -115.45 88.25 18.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.7 152.98 11.96 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.75 2.3 . . . . 0.0 112.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -71.09 -11.57 61.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -55.28 -29.57 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.28 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -77.7 -21.43 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.446 0.641 . . . . 0.0 110.062 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.48 52.39 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.823 -1.081 . . . . 0.0 110.02 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -89.42 -28.32 19.82 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.145 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 30' ' ' PHE . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' LEU . 72.4 mt -45.68 -46.43 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -29.0 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.147 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -76.87 -12.69 60.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.359 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.84 -13.98 40.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -103.6 8.4 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.291 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -85.19 30.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 mt-30 -73.23 -52.56 5.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' C ' ' H ' ' A' ' 48' ' ' GLY . 78.1 Cg_exo -45.56 144.15 5.35 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.821 2.348 . . . . 0.0 112.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.54 38.85 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.248 0.547 . . . . 0.0 110.772 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 81.46 176.47 51.02 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -51.42 99.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.127 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 141.88 35.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -70.95 153.48 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -89.01 129.13 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.729 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' C ' ' A' ' 54' ' ' HIS . 1.5 t-80 -164.87 -121.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' C ' ' O ' ' A' ' 53' ' ' HIS . 30.0 m170 31.1 52.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 7.2 t-80 -51.3 -54.54 25.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.642 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.642 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.3 t-80 148.86 -4.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.9 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m -78.63 -36.13 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.27 34.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.23 127.09 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.374 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.85 148.97 35.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.42 135.03 27.91 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.747 2.298 . . . . 0.0 112.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -13.67 18.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -56.58 -27.85 58.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 37.7 mt -76.99 -21.89 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-O 121.452 0.644 . . . . 0.0 110.206 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.01 -26.71 54.12 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -89.52 -28.99 19.26 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.092 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 24' ' ' LEU . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.408 HD11 HG12 ' A' ' 21' ' ' ILE . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp -44.19 -48.71 9.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.27 -37.14 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.478 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.0 mp -84.4 -12.53 54.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -88.4 -4.26 58.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.809 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 29.96 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.486 ' O ' ' O ' ' A' ' 45' ' ' GLN . 1.3 ttt180 -86.8 83.04 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.339 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 44' ' ' ARG . 2.0 mp0 57.71 143.86 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.443 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 48' ' ' GLY . 89.0 Cg_exo -40.34 147.11 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.59 2.193 . . . . 0.0 112.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.49 38.97 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 152.55 91.29 0.08 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 69.0 Cg_endo -80.31 139.45 13.12 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.846 2.364 . . . . 0.0 112.08 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 5.7 tp 79.51 53.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -38.09 157.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -94.9 -161.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.443 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -109.37 178.84 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.613 ' N ' ' ND1' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -73.42 -158.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 57' ' ' HIS . 11.5 t-80 -167.62 -59.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 33.34 -93.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.442 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t -103.32 -8.85 19.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -87.97 37.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -133.76 126.84 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.073 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -59.36 147.96 74.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -72.61 152.3 53.57 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.767 2.311 . . . . 0.0 111.964 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -54.96 -12.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -56.05 -29.58 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 20.4 mm -77.49 -20.24 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.456 0.646 . . . . 0.0 109.986 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.85 -24.89 52.66 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.16 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -89.28 -29.1 19.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.604 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -45.09 -41.85 8.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -25.41 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -71.96 -12.63 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.634 ' C ' ' H ' ' A' ' 44' ' ' ARG . 21.9 ttp180 -62.07 -3.88 1.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 44' ' ' ARG . 5.2 ptmm? -60.42 10.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.634 ' H ' ' C ' ' A' ' 42' ' ' ARG . 6.8 ttp180 -26.24 130.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -163.35 148.17 9.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.2 Cg_exo -40.61 150.64 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.719 2.279 . . . . 0.0 112.182 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -67.98 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.23 0.538 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -90.57 -174.36 44.52 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.066 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' N ' ' A' ' 51' ' ' GLU . 56.5 Cg_endo -74.73 111.07 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.845 2.363 . . . . 0.0 112.082 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mp -40.25 -19.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.693 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.586 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.4 pt-20 -110.32 165.96 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 49.6 t-80 -178.93 33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -91.66 23.56 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.516 ' ND1' ' N ' ' A' ' 55' ' ' HIS . 5.8 t60 -167.04 152.9 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 54' ' ' HIS . 16.5 m80 -99.29 177.51 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -127.39 22.88 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -104.1 10.67 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.546 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 2.3 mt -95.53 41.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 9.7 m-20 -136.14 127.07 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.5 p -165.78 92.64 0.85 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.28 139.37 73.09 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.683 2.255 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.1 t -62.06 -12.09 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -28.75 58.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.811 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 20' ' ' ILE . 34.2 mt -77.32 -20.08 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.48 0.657 . . . . 0.0 110.132 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.6 -29.18 59.16 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.639 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -31.33 16.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.554 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 16' ' ' ILE . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 17' ' ' ALA . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' LEU . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' ARG . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -57.34 -43.25 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -74.34 -30.39 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 43' ' ' LYS . 2.6 tp -87.06 -12.97 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.685 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TYR . 44.3 ttt180 -52.26 -7.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' ARG . 8.3 pttm -76.26 -2.64 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.4 mtt180 22.53 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 52.87 80.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 48' ' ' GLY . 17.1 Cg_exo -63.55 -8.63 15.62 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.815 2.344 . . . . 0.0 111.797 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 41.2 p30 -67.35 38.42 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -52.58 166.15 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.98 41.41 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.753 2.302 . . . . 0.0 112.078 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' O ' ' N ' ' A' ' 52' ' ' HIS . 4.1 mt -85.0 -46.87 10.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 44.28 10.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.736 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.624 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 50.02 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 19.0 t60 -135.87 -3.73 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -50.95 -26.02 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.663 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -124.93 164.43 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -93.3 -176.93 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -103.57 0.42 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -133.02 18.95 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.96 127.21 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 m -47.82 145.37 4.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -70.64 159.91 51.2 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.589 2.193 . . . . 0.0 112.05 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -60.91 -13.88 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.7 m-80 -56.2 -27.75 55.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.784 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 45.0 mm -76.74 -21.56 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 109.839 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.06 -24.07 51.96 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.241 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -89.12 -27.64 20.6 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.213 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 15' ' ' ASN . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' ALA . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 ' H ' HG22 ' A' ' 27' ' ' VAL . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 37' ' ' ILE . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 33' ' ' VAL . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -34.37 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -74.03 -30.12 62.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.0 -12.87 59.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.9 -9.92 21.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.401 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -108.3 10.44 27.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.236 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -147.99 7.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ASP . 7.9 tt0 -148.48 57.15 2.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' GLY . 32.9 Cg_endo -66.95 20.97 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.829 2.353 . . . . 0.0 112.181 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.562 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -68.03 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.317 0.579 . . . . 0.0 110.856 -179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 53.13 72.22 0.57 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.96 169.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.893 2.395 . . . . 0.0 112.203 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -103.35 34.84 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 64.65 155.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.541 ' ND1' ' N ' ' A' ' 52' ' ' HIS . 1.2 p-80 -103.1 145.1 30.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.499 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 55' ' ' HIS . 11.8 t60 -143.99 130.25 19.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 55' ' ' HIS . 21.9 t-80 -115.96 102.84 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 7.6 m80 33.03 -112.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.58 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -111.05 -145.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' N ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.51 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 3' ' ' TYR . 7.5 t -97.64 -14.83 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.493 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.38 34.35 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 127.19 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.393 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -45.34 153.22 0.57 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.731 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.66 152.47 80.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.844 2.362 . . . . 0.0 112.133 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 57.9 m -63.53 -11.63 25.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 20' ' ' ILE . 4.2 mt -77.75 -17.23 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 109.909 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.05 -29.58 58.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.603 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -90.81 -31.58 16.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 19' ' ' ILE . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 16' ' ' ILE . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' PHE . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -44.39 -28.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.52 -44.4 82.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' TYR . 38.6 mt -65.57 -12.81 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.46 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -74.45 -4.54 37.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -89.18 4.54 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.79 147.4 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.69 74.45 64.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.639 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.587 ' C ' ' H ' ' A' ' 48' ' ' GLY . 60.9 Cg_endo -77.52 29.49 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.933 2.422 . . . . 0.0 112.188 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' OD2' ' A' ' 47' ' ' ASP . 3.2 p-10 -67.93 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.23 0.538 . . . . 0.0 110.746 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 62.09 61.27 6.84 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -79.21 12.69 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.005 2.47 . . . . 0.0 112.249 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.47 -41.02 84.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 54.44 -109.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.629 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.05 150.0 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.674 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 22.3 m80 -87.46 34.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.434 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 t60 78.78 117.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 7.7 t-80 -152.97 169.58 22.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 55' ' ' HIS . 8.0 m-70 75.01 69.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -104.92 -18.74 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.517 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 10' ' ' LEU . 67.9 mt -78.43 12.21 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -136.17 127.08 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -89.01 146.17 35.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.406 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' C ' ' N ' ' A' ' 15' ' ' ASN . 57.9 Cg_endo -73.95 135.13 20.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.596 2.197 . . . . 0.0 112.227 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.6 p -50.26 -12.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.434 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.468 ' N ' ' C ' ' A' ' 13' ' ' PRO . 31.7 m120 -55.88 -28.35 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 20' ' ' ILE . 42.9 mm -77.12 -19.5 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.573 0.701 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -75.98 -29.06 58.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.299 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -91.33 -28.98 17.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 25' ' ' ILE . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 39' ' ' LEU . 8.9 mp -46.36 -43.84 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -68.92 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 43' ' ' LYS . 27.5 mt -81.2 -12.81 59.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.129 0.49 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.22 -4.49 0.55 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.72 12.66 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 44' ' ' ARG . 12.4 ptt-85 -96.05 27.81 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . 5.7 mm100 36.78 81.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.1 Cg_exo -47.49 84.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.703 2.268 . . . . 0.0 112.141 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 4.5 p30 -67.86 38.72 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.14 -75.79 0.56 Allowed Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.211 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -43.87 131.33 8.01 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.817 2.345 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.73 89.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 14.5 pt-20 -102.09 42.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -92.05 74.23 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.218 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -160.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -124.32 -178.84 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -169.01 119.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 92.06 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 110.626 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -59.27 -7.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.71 26.16 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.04 126.96 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.65 148.88 3.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.74 147.72 81.69 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.708 2.272 . . . . 0.0 112.094 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 p -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.64 -29.34 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.841 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 mt -77.41 -20.55 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.368 0.604 . . . . 0.0 109.989 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.108 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -89.77 -28.29 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.068 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 19' ' ' ILE . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 39' ' ' LEU . 1.3 tt -50.67 -46.39 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.49 -20.4 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.54 -12.59 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 44' ' ' ARG . 5.6 mtp85 -73.95 -6.45 47.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.96 31.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 42' ' ' ARG . 1.2 ptm180 -58.09 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 1.6 tm0? -55.92 -46.9 99.69 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 48' ' ' GLY . 44.9 Cg_exo -52.12 114.17 1.52 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.727 2.285 . . . . 0.0 112.115 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.69 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 0.0 110.783 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 85.72 173.92 49.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLY . 72.0 Cg_exo -43.44 -179.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.856 2.371 . . . . 0.0 112.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.03 86.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -117.88 120.74 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 143.2 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -84.99 158.96 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -146.02 -17.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.627 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.22 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.517 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.17 97.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.9 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -92.95 9.54 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.2 43.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.37 126.87 32.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 12' ' ' VAL . 15.4 t -117.31 90.63 34.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -52.65 156.99 8.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 0.0 112.217 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 58.4 p -55.56 -11.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.782 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -54.75 -29.07 52.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.12 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.8 mp -77.37 -20.1 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.522 0.677 . . . . 0.0 110.034 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.6 -27.04 55.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.227 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -28.18 20.18 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.056 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.528 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 32' ' ' VAL . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.713 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.15 -35.45 64.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.27 -27.5 65.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.287 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.43 -12.63 57.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.123 0.487 . . . . 0.0 110.436 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -60.1 -7.28 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.526 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -92.25 3.33 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -62.61 76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 31.4 mt-30 -145.72 69.02 13.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.5 Cg_exo -43.96 120.35 2.38 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.86 2.373 . . . . 0.0 112.181 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.45 38.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.945 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 52.69 72.82 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.62 88.04 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.9 2.4 . . . . 0.0 112.202 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.9 mm? 58.29 16.64 4.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.4 tm-20 -28.4 102.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -95.33 61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 11.3 m80 39.69 -124.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 56' ' ' HIS . 33.7 m170 -88.36 -177.74 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -78.18 37.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.54 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.0 m-70 47.76 52.1 13.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -82.55 6.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 7.7 mp -92.44 12.6 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 26.3 m-20 -136.32 127.23 27.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.143 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.38 84.88 15.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -52.98 134.23 54.75 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.9 2.4 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -66.4 -13.14 60.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.44 -26.05 52.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.967 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 20' ' ' ILE . 48.8 mt -76.15 -21.85 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.537 0.684 . . . . 0.0 110.029 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.91 -30.39 58.76 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.164 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -90.76 -31.94 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.549 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 29' ' ' LEU . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 34' ' ' ILE . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PHE . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 30' ' ' PHE . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -51.77 -35.86 45.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -28.44 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 41' ' ' LEU . 1.3 mm? -86.38 -12.76 48.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -61.97 -9.08 6.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.157 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -93.93 1.5 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.389 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 45' ' ' GLN . 6.5 tpp180 -144.44 -158.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER 29.5 72.99 0.45 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.6 Cg_exo -51.45 101.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.815 2.343 . . . . 0.0 111.934 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -67.73 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 120.18 -168.65 13.82 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -52.69 149.03 26.06 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.748 2.298 . . . . 0.0 112.056 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 114.58 14.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -163.9 103.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 33.7 m-70 -57.36 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 88.1 -157.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.535 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.533 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 36.8 t-80 -68.43 146.86 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.7 OUTLIER -146.96 -68.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.51 ' C ' ' O ' ' A' ' 55' ' ' HIS . 25.8 m170 31.43 77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.0 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.551 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.727 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 2' ' ' THR . 59.6 m -89.97 -12.31 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -83.63 41.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -136.03 126.74 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.217 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' HB ' HD12 ' A' ' 16' ' ' ILE . 31.4 m -71.81 148.92 92.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.33 141.56 62.69 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.738 2.292 . . . . 0.0 112.081 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.7 p -55.96 -11.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -55.1 -30.91 60.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 20' ' ' ILE . 69.0 mt -77.82 -17.17 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.619 0.723 . . . . 0.0 109.833 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.21 -29.08 57.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -90.69 -31.44 16.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.516 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 25' ' ' ILE . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' PHE . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.34 -49.38 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.22 -31.96 73.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.02 -12.68 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.5 tpt180 -63.86 -12.67 38.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.524 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.84 11.29 36.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.272 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -65.81 130.17 42.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -124.13 148.09 56.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.3 Cg_endo -71.77 68.76 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.724 2.283 . . . . 0.0 111.965 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 23.9 t70 -67.45 38.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 111.053 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -59.7 -168.26 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.47 116.73 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.738 2.292 . . . . 0.0 112.018 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' GLU . 5.6 mt -86.14 25.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 50' ' ' LEU . 4.2 tt0 60.48 138.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.475 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.1 130.55 46.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 176.13 170.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -87.73 20.17 3.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.662 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -109.75 -57.98 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -117.84 21.06 13.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t -78.73 -33.23 46.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 7' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -128.36 17.61 6.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.99 127.25 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 12' ' ' VAL . 30.4 m -88.12 147.98 41.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.546 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -71.99 136.58 27.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.677 2.251 . . . . 0.0 112.161 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.4 t -58.65 -12.46 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.687 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -55.88 -29.46 60.0 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 20' ' ' ILE . 1.4 mp -77.39 -18.3 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.37 0.605 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.13 -32.47 59.14 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -90.7 -33.95 15.58 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.519 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 16' ' ' ILE . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 29' ' ' LEU . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 HG12 ' A' ' 33' ' ' VAL . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -44.01 -37.55 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -47.03 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.221 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.43 -13.25 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.24 0.543 . . . . 0.0 110.392 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -102.94 -9.38 19.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.785 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' GLN . 28.8 tttt -86.88 19.37 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.49 83.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 2.8 tt0 -164.79 46.55 0.16 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' C ' ' H ' ' A' ' 48' ' ' GLY . 47.1 Cg_endo -71.65 -26.89 19.11 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.622 2.215 . . . . 0.0 111.96 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLY . 21.7 p30 -67.3 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -31.77 -75.13 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.072 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' O ' HD12 ' A' ' 50' ' ' LEU . 86.5 Cg_exo -40.57 171.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 0.0 112.273 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.7 mp -129.76 81.88 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 63.78 -148.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.607 ' N ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -136.15 -44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 54' ' ' HIS . 15.5 m170 -51.98 123.31 10.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' C ' ' O ' ' A' ' 53' ' ' HIS . 8.7 m-70 -31.57 -60.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 56' ' ' HIS . 16.0 p-80 -112.24 -122.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.508 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 55' ' ' HIS . 8.8 t-80 77.28 12.76 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.616 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -90.33 -36.84 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' N ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.82 16.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.92 126.83 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 12' ' ' VAL . 2.0 m -53.44 151.87 9.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.545 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.2 Cg_endo -69.11 135.22 31.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.835 2.357 . . . . 0.0 112.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 p -44.93 -14.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 13' ' ' PRO . 2.4 m120 -56.61 -27.69 58.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.666 HG22 HG13 ' A' ' 20' ' ' ILE . 13.6 mm -77.14 -23.1 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.383 0.611 . . . . 0.0 110.272 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.81 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.55 -26.22 54.9 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -29.09 18.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.482 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 19' ' ' ILE . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG13 HG22 ' A' ' 16' ' ' ILE . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 17' ' ' ALA . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 34' ' ' ILE . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp -44.57 -45.22 9.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -45.54 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.289 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.23 -12.7 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.322 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -81.83 -9.38 59.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.667 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -95.34 28.4 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.3 ttm-85 -151.12 -32.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 21.28 91.0 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.114 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 48' ' ' GLY . 37.1 Cg_exo -52.88 93.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.645 2.23 . . . . 0.0 112.129 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 1.5 p-10 -67.75 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.298 0.571 . . . . 0.0 110.766 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 51.44 66.17 2.7 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 17.6 Cg_exo -62.57 5.64 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.927 2.418 . . . . 0.0 111.956 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 48' ' ' GLY . 5.1 mt -65.84 -24.02 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -100.65 117.0 33.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -169.17 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 12.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -77.69 113.32 15.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.411 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 8.3 m80 40.32 -112.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.589 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.411 ' CG ' ' C ' ' A' ' 55' ' ' HIS . 2.2 p-80 171.34 50.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 10' ' ' LEU . 70.0 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' LEU . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.767 0.318 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 22' ' ' GLY . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' HD12 ' A' ' 21' ' ' ILE . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 29' ' ' LEU . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 33' ' ' VAL . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? . . . . . 0 CA--C 1.514 -0.431 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.766 ' O ' HG22 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 28' ' ' PHE . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.827 0.346 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 28' ' ' PHE . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.463 0.649 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG22 HG12 ' A' ' 25' ' ' ILE . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 21' ' ' ILE . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 28' ' ' PHE . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' ILE . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 28' ' ' PHE . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' PHE . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.583 HD12 HG12 ' A' ' 33' ' ' VAL . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.486 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 6' ' ' VAL . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 24' ' ' LEU . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 28' ' ' PHE . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' O ' HG23 ' A' ' 7' ' ' THR . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' TYR . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 30' ' ' PHE . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' LEU . 72.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.765 0.317 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.408 HD11 HG12 ' A' ' 21' ' ' ILE . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.776 0.322 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.51 0.672 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' LEU . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.76 0.314 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 ' H ' HG22 ' A' ' 27' ' ' VAL . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 37' ' ' ILE . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 33' ' ' VAL . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 3' ' ' TYR . 7.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 CA--C 1.513 -0.443 0 CA-C-O 121.45 0.643 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' ILE . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 20' ' ' ILE . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' PHE . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 10' ' ' LEU . 67.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm . . . . . 0 CA--C 1.515 -0.395 0 CA-C-O 121.402 0.62 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 ' N ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 25' ' ' ILE . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 39' ' ' LEU . 8.9 mp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm . . . . . 0 CA--C 1.514 -0.436 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 19' ' ' ILE . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 20' ' ' ILE . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.777 0.323 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 32' ' ' VAL . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.713 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.43 0.633 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.517 HG23 ' N ' ' A' ' 21' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.517 ' N ' HG23 ' A' ' 20' ' ' ILE . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 29' ' ' LEU . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 34' ' ' ILE . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PHE . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 30' ' ' PHE . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 2' ' ' THR . 59.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp . . . . . 0 CA--C 1.513 -0.452 0 CA-C-O 121.516 0.675 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 21' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 20' ' ' ILE . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 25' ' ' ILE . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' PHE . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 7' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 121.585 0.707 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 29' ' ' LEU . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 HG12 ' A' ' 33' ' ' VAL . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.756 0.312 . . . . 0.0 110.532 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' N ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.48 0 CA-C-O 121.515 0.674 . . . . 0.0 109.482 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 34' ' ' ILE . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.2 p -76.63 -22.5 54.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -46.13 -34.04 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -49.26 -51.33 34.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.304 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.277 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.49 -25.7 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.242 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 -16.84 39.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -70.68 -21.82 62.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.168 0.508 . . . . 0.0 110.659 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -80.67 -12.01 59.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 10' ' ' LEU . 70.0 mt -113.33 14.05 19.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -135.87 126.91 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.25 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.56 88.45 29.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -53.41 164.28 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.689 2.259 . . . . 0.0 111.804 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -57.4 -13.12 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.529 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -56.65 -28.23 60.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.882 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.4 mm -77.23 -21.37 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.239 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.756 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.72 -28.29 55.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.243 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -89.44 -30.11 18.55 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.116 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 78.0 mt -83.06 -16.23 11.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.567 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -86.55 -48.62 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 17' ' ' ALA . 12.7 tt -87.6 -35.84 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.852 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.55 -51.99 7.67 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 31.3 Cg_exo -53.52 -30.69 55.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 111.812 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.35 -40.49 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.19 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.54 -33.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.84 -40.35 79.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.38 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.23 -32.25 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -70.46 -34.72 72.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.258 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.0 mt -69.91 -33.33 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.873 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -70.32 -40.79 73.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.844 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -37.17 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.514 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -63.55 -36.68 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.566 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 29' ' ' LEU . 91.6 t -69.6 -46.03 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 mt -64.81 -19.98 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.559 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.08 -57.16 4.48 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.786 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.4 p -67.12 -25.99 66.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.448 ' HA ' HD13 ' A' ' 37' ' ' ILE . 2.8 mm -74.62 -39.13 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.847 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.57 -38.12 19.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.516 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.06 -50.76 26.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -66.08 -19.05 65.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.389 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.13 -12.68 61.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -100.54 -4.14 29.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.59 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -79.4 10.5 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HA ' HE21 ' A' ' 45' ' ' GLN . 0.9 OUTLIER -149.22 113.1 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.779 ' NE2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -68.58 155.4 92.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.405 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 48' ' ' GLY . 54.0 Cg_endo -72.88 74.92 2.78 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.854 2.369 . . . . 0.0 112.143 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.244 0.545 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -57.33 -173.04 0.25 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 50' ' ' LEU . 52.4 Cg_exo -49.81 108.74 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.79 2.327 . . . . 0.0 112.088 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 50' ' ' LEU . 7.7 mp 59.11 142.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.565 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CG ' ' H ' ' A' ' 52' ' ' HIS . 7.0 pm0 -91.44 -109.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.528 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER 37.99 -107.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.5 t60 40.1 26.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 52' ' ' HIS . 32.8 m170 -128.55 -162.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -130.0 -59.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -70.36 114.98 9.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 4.1 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.828 0.347 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p -109.17 -4.08 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.522 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' VAL . 10.6 p90 -89.11 -23.08 22.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -42.04 -33.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 28.4 t80 -84.02 -31.41 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.783 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 3' ' ' TYR . 45.5 t -80.45 -14.28 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 m -101.26 -32.16 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.671 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 10.2 t0 -74.29 -21.16 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -54.94 -24.42 23.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.472 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.83 8.74 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.12 126.97 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.115 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.81 137.63 29.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.46 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 15' ' ' ASN . 59.2 Cg_endo -75.19 141.63 26.32 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.571 2.181 . . . . 0.0 111.935 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -51.21 -13.4 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.716 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' N ' ' C ' ' A' ' 13' ' ' PRO . 31.8 m120 -57.44 -26.94 61.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.108 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 25.5 mt -76.99 -23.6 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.495 0.664 . . . . 0.0 110.276 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 21' ' ' ILE . . . -76.49 -28.96 56.64 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.375 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -90.01 -28.99 18.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.352 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mt -83.24 -17.61 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.747 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.6 mm -86.0 -42.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 22' ' ' GLY . 2.3 pp -90.7 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' HD12 ' A' ' 21' ' ' ILE . . . -38.89 -52.69 2.56 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 46.2 Cg_exo -52.58 -33.09 56.82 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.653 2.235 . . . . 0.0 112.008 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -80.94 -38.2 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.128 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.48 -32.96 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -67.89 -37.79 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.08 -33.42 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.609 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -40.97 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.553 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.12 -34.6 77.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -75.03 -37.79 61.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -37.0 80.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.61 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.18 -39.55 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.909 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 29' ' ' LEU . 99.2 t -60.46 -56.08 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.616 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pp -69.91 -19.55 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.86 -56.92 4.67 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.966 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 p -67.06 -25.84 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 33' ' ' VAL . 8.4 mt -74.83 -39.15 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.163 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -47.71 -33.86 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.936 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.38 -28.0 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -73.93 -39.98 63.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.715 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 41' ' ' LEU . 3.3 mm? -63.31 -12.61 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.057 0.456 . . . . 0.0 110.682 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -4.28 59.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 44' ' ' ARG . 1.9 tttt -138.68 27.18 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.645 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 32.6 ttt-85 -50.19 -103.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 172.85 71.94 0.04 OUTLIER Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.437 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' C ' ' H ' ' A' ' 48' ' ' GLY . 52.9 Cg_endo -73.37 126.65 11.17 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.649 2.233 . . . . 0.0 112.226 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 38.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.248 0.547 . . . . 0.0 110.966 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 177.96 74.7 0.06 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.46 64.22 7.27 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.825 2.35 . . . . 0.0 112.132 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 40.34 53.73 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 24.3 tt0 -127.86 117.5 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.437 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 39.5 m80 -151.51 142.68 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.689 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 54.56 -158.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -60.48 140.77 57.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.538 ' O ' ' C ' ' A' ' 56' ' ' HIS . 7.1 t-80 -145.2 5.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.635 ' ND1' ' N ' ' A' ' 57' ' ' HIS . 18.3 p80 27.62 -122.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.635 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 56.1 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 5' ' ' TYR . 1.5 p -82.79 -5.67 59.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' O ' ' OG1' ' A' ' 7' ' ' THR . 3.6 m-85 -44.5 -28.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -74.94 -31.11 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 58.0 m-85 -79.43 -49.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 p -62.47 -18.54 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 88.8 m -78.69 -39.69 35.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.576 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 5' ' ' TYR . 16.5 p30 -72.37 -21.47 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.103 0.478 . . . . 0.0 110.693 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 49.2 t80 -60.85 -19.63 60.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.732 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.37 42.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -136.16 127.0 27.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.357 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 16' ' ' ILE . 1.8 m -78.84 151.58 76.67 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -66.25 158.41 55.01 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.813 2.342 . . . . 0.0 111.866 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 4.2 m -70.91 -16.05 62.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.761 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -56.22 -29.34 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 76.1 mt -78.06 -18.13 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.536 0.684 . . . . 0.0 110.172 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.73 -27.94 55.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.488 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -89.05 -29.29 19.54 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.236 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 9.1 mm -84.68 -16.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.473 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -80.41 -50.68 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.447 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 22' ' ' GLY . 3.3 tp -86.49 -42.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.986 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -34.67 -54.94 0.81 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 40.0 Cg_exo -53.11 -36.65 77.62 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.708 2.272 . . . . 0.0 112.281 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ILE . 1.2 tt -80.35 -35.78 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.292 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 25' ' ' ILE . 2.9 mm -50.58 -33.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.64 -39.36 84.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.443 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.15 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.3 t80 -64.39 -42.24 96.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.346 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.2 mm? -62.27 -33.63 75.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.002 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.766 ' O ' HG22 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -76.32 -35.24 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.562 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.2 t -68.18 -37.1 80.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.79 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 28' ' ' PHE . 34.9 t -69.08 -48.81 67.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.897 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 34' ' ' ILE . 30.6 m -70.0 -56.74 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 30' ' ' PHE . 11.1 tt -60.95 -19.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.24 -57.35 4.35 Favored Glycine 0 CA--C 1.52 0.345 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.026 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.8 p -68.95 -25.84 64.76 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.0 mt -75.07 -37.37 40.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.571 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -46.81 -55.01 8.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.696 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.593 ' CD2' HH21 ' A' ' 42' ' ' ARG . 1.0 OUTLIER -44.3 -36.15 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -71.13 -35.92 71.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' TYR . 2.4 mp -71.85 -12.63 61.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.162 0.505 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.593 HH21 ' CD2' ' A' ' 39' ' ' LEU . 8.1 ttm180 -67.24 -8.17 29.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.781 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -108.59 17.1 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -59.11 162.26 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 15.4 tt0 71.68 53.4 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.543 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.579 ' C ' ' H ' ' A' ' 48' ' ' GLY . 39.3 Cg_endo -70.39 110.72 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.861 2.374 . . . . 0.0 111.954 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 26.1 t0 -67.55 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.241 0.544 . . . . 0.0 110.865 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -161.88 63.92 0.27 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 38.1 Cg_exo -52.89 115.99 2.62 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.723 2.282 . . . . 0.0 112.034 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.7 mt -100.42 174.81 5.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.45 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 52' ' ' HIS . 14.0 pm0 -119.56 -178.8 3.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.614 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' C ' ' O ' ' A' ' 51' ' ' GLU . 34.6 t-80 28.81 52.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.577 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 8.0 t-80 -145.82 75.25 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.456 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.746 ' CG ' ' H ' ' A' ' 55' ' ' HIS . 1.2 t60 -70.21 -157.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.746 ' H ' ' CG ' ' A' ' 54' ' ' HIS . 9.2 t-80 -76.4 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.711 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -44.65 165.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' C ' ' CD2' ' A' ' 57' ' ' HIS . 3.4 t-160 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.842 0.353 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -41.46 -32.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -57.93 -47.76 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 4' ' ' PHE . 22.8 t80 -60.14 -22.79 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.696 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.471 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.0 t80 -76.78 -62.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.6 -19.49 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 92.6 m -85.82 -16.65 38.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -55.3 -21.58 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.586 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -66.58 -15.6 63.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.595 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.97 27.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -136.14 126.91 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 m -45.87 146.28 2.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.531 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.09 148.69 45.06 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.601 2.201 . . . . 0.0 112.148 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.9 t -65.29 -11.82 45.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -55.74 -30.56 61.42 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.3 mt -77.6 -18.19 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 CA-C-O 121.394 0.616 . . . . 0.0 110.156 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.92 -28.11 55.14 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.248 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -29.39 19.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.147 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.9 mt -83.52 -16.78 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.655 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.602 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.4 mm -90.37 -44.11 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 17' ' ' ALA . 11.5 tt -91.15 -28.53 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -51.86 -47.32 53.77 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.1 Cg_exo -53.01 -43.79 54.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.786 2.324 . . . . 0.0 112.229 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -76.94 -34.96 57.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.4 . . . . 0.0 110.263 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.68 -33.09 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -49.97 58.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.078 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.46 -36.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.6 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t80 -71.01 -33.95 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.48 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.9 -31.82 66.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.045 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.73 -39.77 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.28 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -68.37 -39.62 81.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 28' ' ' PHE . 77.1 t -65.97 -46.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.741 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.6 -56.69 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.623 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.64 -19.28 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.604 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.07 -56.45 5.27 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.532 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -63.03 -26.69 68.97 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 37' ' ' ILE . 15.2 mm -75.42 -40.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.426 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CE1' ' NH1' ' A' ' 42' ' ' ARG . 2.3 t80 -46.88 -36.8 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.553 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mt -43.97 -38.51 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.41 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.61 -46.25 39.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -57.76 -12.73 3.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' NH1' ' CE1' ' A' ' 38' ' ' TYR . 5.1 mtp85 -71.13 -4.14 23.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.622 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 8.8 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.41 124.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -147.86 63.32 7.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.591 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.6 Cg_endo -73.66 115.3 4.28 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.835 2.357 . . . . 0.0 112.119 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -67.69 38.73 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.591 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -130.43 51.74 0.85 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 29.7 Cg_endo -66.0 175.25 4.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.332 . . . . 0.0 112.111 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 6.3 tp 84.83 67.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.542 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -117.65 156.9 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.583 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.564 ' ND1' ' N ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -62.33 81.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -165.53 173.41 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -16.14 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.41 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.496 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -172.18 70.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.803 0.335 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -96.67 -28.25 14.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.604 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.38 -45.07 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -70.54 -45.23 65.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.463 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.33 -22.63 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.485 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -66.4 -41.37 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.589 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.31 -22.08 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -9.62 58.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.67 40.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.499 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -135.94 127.0 27.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.278 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 12' ' ' VAL . 3.5 p -134.14 86.88 35.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.748 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.59 146.36 76.14 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.813 2.342 . . . . 0.0 111.851 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.7 p -67.79 -12.5 60.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.629 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -56.14 -29.14 60.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.882 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 2.0 mt -77.44 -22.19 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.64 53.17 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.568 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -89.79 -28.35 19.39 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.278 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.0 mt -86.61 -18.47 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.916 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.2 mm -85.99 -55.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.721 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG22 HG12 ' A' ' 25' ' ' ILE . 8.5 mt -81.03 -38.43 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -38.86 -55.9 2.19 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 47.4 Cg_exo -52.74 -41.32 70.38 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.836 2.357 . . . . 0.0 112.356 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.4 -39.47 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 21' ' ' ILE . 5.1 mm -50.42 -32.84 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -47.95 83.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.657 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.07 -32.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.613 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 t80 -65.34 -39.13 91.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.071 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.5 mm? -69.91 -35.38 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.95 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -72.11 -36.36 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.14 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -67.94 -39.75 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.215 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 28' ' ' PHE . 43.9 t -59.34 -46.14 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.171 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.9 t -61.95 -56.9 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.254 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.05 -19.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.98 -56.36 5.85 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -26.39 68.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 mm -75.18 -39.86 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.698 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.59 -37.52 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -45.85 -42.17 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -67.59 -34.5 77.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -70.58 -12.89 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' C ' ' H ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -97.03 -5.45 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.428 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -68.47 13.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' H ' ' C ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.07 -18.94 61.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.595 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -145.07 74.0 14.47 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.2 Cg_exo -46.95 162.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.838 2.358 . . . . 0.0 112.317 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -67.79 38.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.218 0.532 . . . . 0.0 110.727 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 80.07 168.79 38.2 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -73.62 -177.47 3.11 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.787 2.325 . . . . 0.0 112.015 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 36.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -43.19 -70.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.02 14.18 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.24 84.57 3.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.77 17.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.616 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 72.89 -144.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' HIS . 3.1 t-160 -79.43 59.52 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CB ' ' O ' ' A' ' 56' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -37.88 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -22.11 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.589 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -40.3 -30.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -85.74 -45.6 11.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.38 -20.39 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 9.8 p -71.1 -19.18 62.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.99 -21.82 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.636 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.9 -38.49 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.518 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -81.19 25.77 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.419 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -136.18 127.14 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.406 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -43.18 104.13 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.584 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -51.27 139.22 44.87 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.457 2.105 . . . . 0.0 112.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.3 t -71.16 -15.99 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.642 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.597 HD22 ' H ' ' A' ' 15' ' ' ASN . 2.5 m-80 -56.36 -27.46 56.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.559 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 92.0 mt -77.25 -20.63 14.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.508 0.671 . . . . 0.0 110.086 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.8 -27.42 55.23 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.161 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.17 -30.91 18.23 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.131 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.7 mt -82.37 -17.49 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.675 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -83.13 -56.29 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.433 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' LEU . 26.9 mt -78.01 -39.79 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.33 -57.39 0.71 Allowed Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -53.3 -32.74 62.56 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.754 2.303 . . . . 0.0 111.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 21' ' ' ILE . 13.8 tp -80.83 -38.11 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.203 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.5 mt -50.43 -32.98 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -67.51 -43.56 80.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.283 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.81 -33.09 58.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.25 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -68.22 -36.39 79.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.447 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.0 mt -73.14 -33.61 65.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' ILE . 30.9 t80 -75.35 -40.76 57.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.691 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.8 t -64.88 -37.41 87.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.615 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 28' ' ' PHE . 55.0 t -68.07 -39.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 29' ' ' LEU . 48.2 t -60.21 -56.41 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.801 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' PHE . 4.1 tt -67.15 -19.21 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.69 -57.04 5.14 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.101 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -25.69 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.583 HD12 HG12 ' A' ' 33' ' ' VAL . 12.0 mt -74.95 -38.75 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.43 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -49.82 -35.17 21.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.722 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.91 -44.12 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.764 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -63.33 -31.18 72.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -72.82 -12.71 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -90.87 -6.17 54.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 44' ' ' ARG . 22.7 tttt -88.14 25.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.402 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 43' ' ' LYS . 10.3 mtt85 36.95 63.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' H ' ' HD2' ' A' ' 46' ' ' PRO . 3.2 mt-30 -89.75 -59.04 0.25 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 41.8 Cg_endo -70.23 30.28 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.742 2.295 . . . . 0.0 111.984 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -67.51 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.01 -179.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 158.72 157.72 8.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -70.95 -165.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.699 2.266 . . . . 0.0 112.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 50' ' ' LEU . 4.7 mp -89.0 -15.42 34.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.71 105.37 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.9 -4.12 50.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.706 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.541 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 1.6 p-80 -103.38 146.79 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' CE1' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -149.28 -175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' ND1' ' N ' ' A' ' 55' ' ' HIS . 2.3 m-70 -54.93 -37.94 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.46 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -96.24 136.82 36.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.479 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.336 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' PHE . 5.2 t -71.34 2.22 5.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' O ' ' OG1' ' A' ' 7' ' ' THR . 14.7 t80 -50.99 -8.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' THR . 1.2 t80 -74.64 -64.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -59.69 -29.72 68.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 6' ' ' VAL . 93.1 t -81.03 -13.15 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 3.4 m -93.77 -33.48 13.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.3 p30 -60.8 -21.6 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 4.3 t80 -64.88 -31.24 72.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.461 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.65 43.75 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -132.06 127.06 35.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.13 70.74 78.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.07 139.08 26.44 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.87 2.38 . . . . 0.0 112.26 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 89.5 p -66.72 -11.34 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.629 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -55.05 -29.75 58.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.598 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 5.2 mt -77.29 -20.67 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.51 0.671 . . . . 0.0 109.815 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.24 -24.78 51.15 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.515 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -29.0 19.7 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.091 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -86.82 -18.95 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.724 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.598 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.9 mm -85.68 -52.29 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.759 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.5 tt -85.82 -37.36 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -36.0 -54.95 1.17 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 36.8 Cg_exo -53.39 -30.6 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.639 2.226 . . . . 0.0 111.694 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' ILE . 6.4 mp -80.65 -39.43 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.068 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.55 -32.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.89 -49.13 78.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.709 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.65 -32.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -69.96 -38.43 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -70.3 -33.68 71.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.272 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 22.8 t80 -75.81 -39.29 57.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 p -67.88 -38.73 83.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 28' ' ' PHE . 98.5 t -68.18 -39.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.91 -57.04 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 -20.03 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.28 -56.31 7.94 Favored Glycine 0 CA--C 1.518 0.222 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -66.39 -25.48 66.8 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -40.23 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.802 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' LEU . 79.1 t80 -62.63 -47.71 82.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -43.74 -46.79 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -65.59 -31.98 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -74.44 -12.69 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.448 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -69.03 -7.15 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.543 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 44' ' ' ARG . 20.4 mttt -119.6 8.87 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' C ' ' O ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER 32.82 -147.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.59 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 41.22 68.13 2.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' C ' ' H ' ' A' ' 48' ' ' GLY . 62.4 Cg_endo -78.37 -40.67 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.823 2.349 . . . . 0.0 112.255 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 18.9 t70 -67.82 38.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.927 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.65 175.74 36.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 51' ' ' GLU . 50.6 Cg_exo -49.6 104.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.765 2.31 . . . . 0.0 111.952 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.4 mt -69.94 49.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 50' ' ' LEU . 72.8 mm-40 27.63 61.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -49.43 124.56 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.425 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.91 -174.78 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -63.9 -51.99 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -98.96 167.73 10.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -64.3 -76.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.494 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.1 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mtp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.853 0.358 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.69 -21.01 20.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.489 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' O ' HG23 ' A' ' 7' ' ' THR . 36.6 m-85 -56.82 -34.2 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.9 -45.27 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.63 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -49.19 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.65 -19.36 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.759 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 3' ' ' TYR . 42.0 p -93.63 -31.41 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.673 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -21.8 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.697 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' ASP . 3.3 t80 -59.67 -36.72 77.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.687 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 10.3 mt -74.8 40.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.668 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' TYR . 3.4 t70 -136.09 126.95 27.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.279 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -115.45 88.25 18.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.7 152.98 11.96 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.75 2.3 . . . . 0.0 112.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -71.09 -11.57 61.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.682 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -55.28 -29.57 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.28 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.0 OUTLIER -77.7 -21.43 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.446 0.641 . . . . 0.0 110.062 179.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.94 -24.48 52.39 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.823 -1.081 . . . . 0.0 110.02 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -89.42 -28.32 19.82 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.145 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 mt -85.4 -18.97 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.581 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 39.0 mt -94.1 -49.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.611 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.54 -15.71 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -44.67 -55.73 6.02 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 38.0 Cg_exo -53.35 -27.21 38.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.657 2.238 . . . . 0.0 111.507 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.8 -40.91 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.73 -32.44 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -62.56 -50.03 72.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.567 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.82 -32.34 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.192 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -69.46 -35.16 75.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.055 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.871 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -73.44 -33.92 65.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.419 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 34' ' ' ILE . 90.4 t80 -74.45 -40.85 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.506 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 t -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 110.399 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.41 -48.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.749 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 29' ' ' LEU . 57.2 t -58.32 -56.72 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.555 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 30' ' ' PHE . 20.1 tt -64.1 -19.38 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.102 0.477 . . . . 0.0 110.401 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.77 -56.33 11.52 Favored Glycine 0 C--N 1.322 -0.248 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -25.31 65.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -73.98 -38.6 49.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.103 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' LEU . 2.0 t80 -52.62 -42.55 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.407 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' LEU . 72.4 mt -45.68 -46.43 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.94 -29.0 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.147 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -76.87 -12.69 60.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.359 179.787 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.84 -13.98 40.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.45 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -103.6 8.4 37.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.291 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -85.19 30.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 mt-30 -73.23 -52.56 5.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' C ' ' H ' ' A' ' 48' ' ' GLY . 78.1 Cg_exo -45.56 144.15 5.35 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.821 2.348 . . . . 0.0 112.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.54 38.85 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.248 0.547 . . . . 0.0 110.772 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 81.46 176.47 51.02 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -51.42 99.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.744 2.296 . . . . 0.0 112.127 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 141.88 35.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -70.95 153.48 42.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -89.01 129.13 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.729 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' C ' ' A' ' 54' ' ' HIS . 1.5 t-80 -164.87 -121.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' C ' ' O ' ' A' ' 53' ' ' HIS . 30.0 m170 31.1 52.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.642 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 3.3 t-160 -51.3 -54.54 25.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.642 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.642 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.3 t-80 148.86 -4.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.9 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 m -78.63 -36.13 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' PHE . 3.2 m-85 -55.46 -50.45 69.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.479 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' TYR . 24.7 t80 -36.84 -45.56 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -66.28 -57.17 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.65 -23.21 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -21.22 19.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -75.14 -21.62 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -16.57 63.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.515 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.27 34.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.23 127.09 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.374 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.85 148.97 35.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.507 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.42 135.03 27.91 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.747 2.298 . . . . 0.0 112.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -13.67 18.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -56.58 -27.85 58.92 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 37.7 mt -76.99 -21.89 14.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-O 121.452 0.644 . . . . 0.0 110.206 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.01 -26.71 54.12 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -89.52 -28.99 19.26 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.092 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.4 mm -85.03 -17.68 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.714 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 mm -82.01 -49.59 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -87.48 -39.59 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -35.75 -54.07 1.11 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 44.3 Cg_exo -52.85 -38.03 77.89 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.594 2.196 . . . . 0.0 111.947 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.6 tp -74.4 -36.83 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.685 -0.406 . . . . 0.0 109.915 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.408 HD11 HG12 ' A' ' 21' ' ' ILE . 43.1 mm -50.64 -33.35 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.12 -42.86 83.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.351 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.53 -38.36 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.426 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -71.11 -39.71 71.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.305 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.006 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -39.05 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -37.51 81.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.115 0.483 . . . . 0.0 110.405 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.75 -48.3 89.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.118 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 29' ' ' LEU . 58.4 t -53.91 -56.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.188 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.6 mt -58.03 -19.85 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.4 -56.36 6.88 Favored Glycine 0 CA--C 1.518 0.244 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.11 -25.65 67.1 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.25 48.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.778 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 42' ' ' ARG . 1.0 OUTLIER -51.3 -34.89 35.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.607 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 tp -44.19 -48.71 9.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.27 -37.14 76.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.478 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.0 mp -84.4 -12.53 54.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -88.4 -4.26 58.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.809 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.37 29.96 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.486 ' O ' ' O ' ' A' ' 45' ' ' GLN . 1.3 ttt180 -86.8 83.04 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.339 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' O ' ' O ' ' A' ' 44' ' ' ARG . 2.0 mp0 57.71 143.86 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.443 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 48' ' ' GLY . 89.0 Cg_exo -40.34 147.11 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.59 2.193 . . . . 0.0 112.213 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.49 38.97 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.127 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 152.55 91.29 0.08 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 69.0 Cg_endo -80.31 139.45 13.12 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.846 2.364 . . . . 0.0 112.08 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 5.7 tp 79.51 53.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -38.09 157.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 7.8 m-70 -94.9 -161.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.443 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -109.37 178.84 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -73.42 -158.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 57' ' ' HIS . 11.5 t-80 -167.62 -59.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER 33.34 -93.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.442 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.598 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' TYR . 1.2 t -103.32 -8.85 19.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.46 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' TYR . 3.1 t80 -37.71 -37.67 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.41 -25.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -81.03 -54.15 5.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.44 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.0 t -53.91 -25.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.33 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.9 m -68.29 -36.05 78.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.399 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.4 -21.85 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.161 0.505 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.128 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -87.97 37.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.262 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -133.76 126.84 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.073 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -59.36 147.96 74.44 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -72.61 152.3 53.57 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.767 2.311 . . . . 0.0 111.964 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -54.96 -12.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -56.05 -29.58 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 20.4 mm -77.49 -20.24 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.456 0.646 . . . . 0.0 109.986 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.85 -24.89 52.66 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.16 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -89.28 -29.1 19.43 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.64 -17.78 8.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.735 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.604 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 2.0 mm -90.84 -44.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.526 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LEU . 50.1 mt -82.74 -39.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 21' ' ' ILE . . . -34.89 -56.15 0.83 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.7 Cg_exo -53.32 -29.19 46.54 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.63 2.22 . . . . 0.0 111.462 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -80.93 -39.34 26.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.876 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 mm -50.24 -32.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.56 -47.06 70.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.673 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.41 -40.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.08 -33.13 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.218 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.65 -31.58 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.577 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -72.76 -39.36 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.09 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -37.84 81.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -68.63 -46.72 79.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.751 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.96 -57.08 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.59 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -61.0 -20.03 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -56.24 10.56 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -67.59 -25.64 65.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.26 -37.78 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.185 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -46.54 -40.82 13.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.428 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -45.09 -41.85 8.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -25.41 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.719 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -71.96 -12.63 61.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.074 0.464 . . . . 0.0 110.706 -179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.634 ' C ' ' H ' ' A' ' 44' ' ' ARG . 21.9 ttp180 -62.07 -3.88 1.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 44' ' ' ARG . 5.2 ptmm? -60.42 10.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.634 ' H ' ' C ' ' A' ' 42' ' ' ARG . 6.8 ttp180 -26.24 130.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -163.35 148.17 9.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.2 Cg_exo -40.61 150.64 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.719 2.279 . . . . 0.0 112.182 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -67.98 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.23 0.538 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -90.57 -174.36 44.52 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.066 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' O ' ' N ' ' A' ' 51' ' ' GLU . 56.5 Cg_endo -74.73 111.07 3.23 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.845 2.363 . . . . 0.0 112.082 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mp -40.25 -19.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.693 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.586 ' N ' ' O ' ' A' ' 49' ' ' PRO . 2.4 pt-20 -110.32 165.96 11.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.665 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 49.6 t-80 -178.93 33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -91.66 23.56 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.516 ' ND1' ' N ' ' A' ' 55' ' ' HIS . 5.8 t60 -167.04 152.9 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.536 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 54' ' ' HIS . 16.5 m80 -99.29 177.51 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -127.39 22.88 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.62 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -104.1 10.67 35.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.546 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -102.89 -29.76 11.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.696 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -39.82 -46.81 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.14 -61.28 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.741 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.79 -15.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -77.86 -19.35 54.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.803 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.48 -21.79 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.463 . . . . 0.0 110.588 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -86.68 -17.36 33.92 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.818 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 2.3 mt -95.53 41.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.766 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 9.7 m-20 -136.14 127.07 27.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.5 p -165.78 92.64 0.85 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.727 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.28 139.37 73.09 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.683 2.255 . . . . 0.0 112.082 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 2.1 t -62.06 -12.09 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.585 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -28.75 58.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.811 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 20' ' ' ILE . 34.2 mt -77.32 -20.08 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.48 0.657 . . . . 0.0 110.132 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.683 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.6 -29.18 59.16 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.639 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -31.33 16.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.554 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.0 mt -81.77 -17.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.571 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 16' ' ' ILE . 10.3 tp -105.38 -34.68 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.219 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 17' ' ' ALA . 5.5 tp -91.24 -22.4 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.959 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.41 -51.0 6.61 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.0 Cg_exo -53.55 -31.97 61.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.695 2.263 . . . . 0.0 111.975 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.44 -40.39 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.29 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 25' ' ' ILE . 10.8 mt -50.38 -32.62 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -68.27 -43.17 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.732 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.08 -35.35 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.04 -40.74 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.1 tp -65.77 -35.92 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.016 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.7 -37.44 70.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.17 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -37.25 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.138 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.54 -43.71 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' LEU . 36.9 t -58.3 -51.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.349 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.2 mp -67.25 -20.57 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.64 -56.81 4.42 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.574 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -67.15 -25.76 66.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mm -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.835 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' ARG . 25.4 t80 -51.96 -43.2 63.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -57.34 -43.25 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -74.34 -30.39 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 43' ' ' LYS . 2.6 tp -87.06 -12.97 45.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.685 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 38' ' ' TYR . 44.3 ttt180 -52.26 -7.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.595 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' ARG . 8.3 pttm -76.26 -2.64 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.413 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 43' ' ' LYS . 6.4 mtt180 22.53 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 52.87 80.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.593 ' C ' ' H ' ' A' ' 48' ' ' GLY . 17.1 Cg_exo -63.55 -8.63 15.62 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.815 2.344 . . . . 0.0 111.797 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 41.2 p30 -67.35 38.42 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.736 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.593 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -52.58 166.15 1.26 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.98 41.41 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.753 2.302 . . . . 0.0 112.078 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' O ' ' N ' ' A' ' 52' ' ' HIS . 4.1 mt -85.0 -46.87 10.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 44.28 10.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.736 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.624 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 50.02 -178.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 19.0 t60 -135.87 -3.73 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.662 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -50.95 -26.02 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.663 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -124.93 164.43 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -93.3 -176.93 4.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.8 t -103.57 0.42 30.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -103.47 -54.56 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.478 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -46.55 -30.91 2.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.775 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -44.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.12 -11.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -92.31 -43.73 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.9 -21.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.096 0.474 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -64.6 -25.42 67.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -133.02 18.95 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.404 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.96 127.21 28.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 m -47.82 145.37 4.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -70.64 159.91 51.2 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.589 2.193 . . . . 0.0 112.05 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -60.91 -13.88 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.53 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.7 m-80 -56.2 -27.75 55.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.784 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 45.0 mm -76.74 -21.56 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.415 0.626 . . . . 0.0 109.839 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.06 -24.07 51.96 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.241 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -89.12 -27.64 20.6 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.213 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 15' ' ' ASN . 1.2 mp -88.46 -19.68 7.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.721 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.1 mm -86.8 -48.04 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.805 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 17' ' ' ALA . 10.3 tt -91.46 -25.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.15 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -50.75 -47.01 47.69 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 39.9 Cg_exo -53.04 -35.34 71.76 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.53 2.153 . . . . 0.0 111.659 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 tp -80.98 -35.8 31.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.066 0.46 . . . . 0.0 110.037 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -50.65 -33.07 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.542 178.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -59.69 -50.76 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.049 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 ' H ' HG22 ' A' ' 27' ' ' VAL . 4.4 m -72.06 -31.97 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.701 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t80 -66.92 -39.81 87.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.449 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -68.87 -35.76 77.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.01 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -38.33 65.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.304 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -67.96 -40.55 83.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 28' ' ' PHE . 25.2 t -58.42 -48.76 84.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 37' ' ' ILE . 76.8 t -57.71 -52.74 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.58 -20.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.43 -57.01 4.41 Favored Glycine 0 C--N 1.322 -0.216 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.619 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -26.09 67.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.52 HD12 HG12 ' A' ' 33' ' ' VAL . 3.3 mt -74.74 -39.58 46.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.748 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -50.79 -41.1 56.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.255 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -34.37 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.297 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -74.03 -30.12 62.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.0 -12.87 59.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -100.9 -9.92 21.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.401 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -108.3 10.44 27.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.236 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -147.99 7.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ASP . 7.9 tt0 -148.48 57.15 2.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' GLY . 32.9 Cg_endo -66.95 20.97 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.829 2.353 . . . . 0.0 112.181 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -68.03 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.317 0.579 . . . . 0.0 110.856 -179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 53.13 72.22 0.57 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.96 169.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.893 2.395 . . . . 0.0 112.203 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -103.35 34.84 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.566 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 64.65 155.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.541 ' ND1' ' N ' ' A' ' 52' ' ' HIS . 1.2 p-80 -103.1 145.1 30.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.499 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 55' ' ' HIS . 11.8 t60 -143.99 130.25 19.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.59 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 55' ' ' HIS . 21.9 t-80 -115.96 102.84 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 13.5 m-70 33.03 -112.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.58 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -111.05 -145.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' ND1' ' N ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.317 . . . . 0.0 110.51 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 3' ' ' TYR . 7.5 t -97.64 -14.83 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.493 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -109.03 -28.76 8.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.492 ' O ' ' OG1' ' A' ' 7' ' ' THR . 20.2 t80 -56.77 -29.85 63.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.603 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -82.26 -47.11 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.485 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.57 -22.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 4' ' ' PHE . 1.9 p -70.82 -22.31 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -54.05 -21.73 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.125 0.488 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -55.9 -38.63 70.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.38 34.35 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.614 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.22 127.19 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.393 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -45.34 153.22 0.57 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.731 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.66 152.47 80.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.844 2.362 . . . . 0.0 112.133 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 57.9 m -63.53 -11.63 25.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 20' ' ' ILE . 4.2 mt -77.75 -17.23 14.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 109.909 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.05 -29.58 58.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.603 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -90.81 -31.58 16.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.532 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 19' ' ' ILE . 4.3 mm -77.74 -19.63 13.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.954 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 16' ' ' ILE . 10.8 tp -97.71 -24.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.777 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -91.26 -43.3 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.625 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.28 -49.51 10.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.4 Cg_exo -53.19 -36.78 78.75 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.746 2.297 . . . . 0.0 111.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 tp -78.72 -38.47 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.084 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -50.82 -32.18 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.49 -50.87 71.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.147 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 4.5 m -72.2 -33.07 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.793 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.9 t80 -65.44 -39.89 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.436 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.14 -34.63 66.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.155 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -42.26 74.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.187 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.4 t -68.32 -41.77 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 28' ' ' PHE . 24.7 t -62.54 -35.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.394 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 t -70.59 -49.95 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.0 mt -64.82 -21.06 28.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.62 -57.0 4.34 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.74 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -68.27 -25.68 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.49 -38.82 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.21 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.1 m-85 -56.11 -46.13 79.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -44.39 -28.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.205 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.52 -44.4 82.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.302 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' TYR . 38.6 mt -65.57 -12.81 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.46 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -74.45 -4.54 37.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.468 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -89.18 4.54 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.79 147.4 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -134.69 74.45 64.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.639 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.587 ' C ' ' H ' ' A' ' 48' ' ' GLY . 60.9 Cg_endo -77.52 29.49 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.933 2.422 . . . . 0.0 112.188 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD2' ' O ' ' A' ' 47' ' ' ASP . 3.2 p-10 -67.93 38.75 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.23 0.538 . . . . 0.0 110.746 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 62.09 61.27 6.84 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -79.21 12.69 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.005 2.47 . . . . 0.0 112.249 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.47 -41.02 84.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 54.44 -109.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.629 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.05 150.0 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.674 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' O ' ' CB ' ' A' ' 54' ' ' HIS . 22.3 m80 -87.46 34.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.434 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 53' ' ' HIS . 1.9 t60 78.78 117.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 7.7 t-80 -152.97 169.58 22.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' CG ' ' C ' ' A' ' 55' ' ' HIS . 8.0 m-70 75.01 69.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.619 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -104.92 -18.74 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -93.6 -45.65 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.627 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.81 -31.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.437 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' TYR . 1.1 t80 -82.39 -53.48 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.42 -17.74 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.379 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.517 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 6.5 p -86.84 -34.15 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.82 -21.58 66.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.192 0.52 . . . . 0.0 110.484 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.16 89.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 10' ' ' LEU . 67.9 mt -78.43 12.21 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.738 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -136.17 127.08 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.467 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -89.01 146.17 35.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.406 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' C ' ' N ' ' A' ' 15' ' ' ASN . 57.9 Cg_endo -73.95 135.13 20.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.596 2.197 . . . . 0.0 112.227 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.6 p -50.26 -12.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.434 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.468 ' N ' ' C ' ' A' ' 13' ' ' PRO . 31.7 m120 -55.88 -28.35 56.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 20' ' ' ILE . 42.9 mm -77.12 -19.5 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 CA-C-O 121.573 0.701 . . . . 0.0 110.189 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -75.98 -29.06 58.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.299 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -91.33 -28.98 17.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.78 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.7 mt -84.05 -18.61 9.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -93.9 -41.1 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.904 179.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.3 mt -91.41 -25.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.38 -47.81 34.85 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 45.2 Cg_exo -52.8 -35.39 69.37 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.611 2.207 . . . . 0.0 111.79 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -81.1 -35.09 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.055 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 25' ' ' ILE . 29.2 mt -50.71 -33.23 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.44 -36.71 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.05 -41.56 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.73 -45.88 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -61.49 -35.63 78.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.18 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -75.13 -35.83 61.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.76 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.282 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -65.93 -39.67 85.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.277 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' LEU . 41.2 t -54.57 -52.4 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.5 pt -69.58 -19.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.7 -56.87 4.77 Favored Glycine 0 CA--C 1.519 0.284 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.676 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -65.79 -26.48 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 37' ' ' ILE . 2.2 mm -75.52 -38.21 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.953 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.76 -33.41 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.669 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 39' ' ' LEU . 8.9 mp -46.36 -43.84 16.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -68.92 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 43' ' ' LYS . 27.5 mt -81.2 -12.81 59.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.129 0.49 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -59.22 -4.49 0.55 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.575 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -90.72 12.66 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.638 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 44' ' ' ARG . 12.4 ptt-85 -96.05 27.81 3.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . 5.7 mm100 36.78 81.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 48' ' ' GLY . 53.1 Cg_exo -47.49 84.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.703 2.268 . . . . 0.0 112.141 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 4.5 p30 -67.86 38.72 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.588 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -70.14 -75.79 0.56 Allowed Glycine 0 CA--C 1.525 0.687 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.211 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -43.87 131.33 8.01 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.817 2.345 . . . . 0.0 112.333 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -70.73 89.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 14.5 pt-20 -102.09 42.34 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -92.05 74.23 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.218 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -160.77 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -124.32 -178.84 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -169.01 119.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 92.06 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' SD ' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 110.626 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -59.27 -7.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -52.81 -31.17 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -44.8 -31.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.415 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -85.82 -37.59 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.567 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.58 -19.08 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 p -93.7 -31.4 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -68.99 -21.7 64.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.364 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -71.48 -9.95 59.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.71 26.16 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.607 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.04 126.96 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.324 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -48.65 148.88 3.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.543 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.74 147.72 81.69 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.708 2.272 . . . . 0.0 112.094 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.5 p -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.64 -29.34 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.841 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 mt -77.41 -20.55 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 CA-C-O 121.368 0.604 . . . . 0.0 109.989 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.69 -25.62 53.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.108 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -89.77 -28.29 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.068 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 19' ' ' ILE . 22.1 mm -84.23 -18.97 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.964 178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 20' ' ' ILE . 4.5 mm -91.54 -39.28 11.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -84.86 -41.18 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.747 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' ILE . . . -35.19 -54.28 0.93 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 33.3 Cg_exo -53.33 -39.17 82.21 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.732 2.288 . . . . 0.0 112.563 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -39.55 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.909 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -50.38 -32.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -67.27 -48.56 67.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.543 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.66 -32.86 59.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.02 -38.19 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.171 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -35.68 80.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.064 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.92 -40.3 54.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -38.69 91.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.28 -36.19 66.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.534 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.86 -57.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.1 pt -66.12 -19.88 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.59 -56.18 12.38 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 m -68.18 -24.93 65.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 -39.58 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.055 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.08 -41.34 64.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.3 tt -50.67 -46.39 58.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.45 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.49 -20.4 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.54 -12.59 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 44' ' ' ARG . 5.6 mtp85 -73.95 -6.45 47.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.96 31.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 42' ' ' ARG . 1.2 ptm180 -58.09 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 1.6 tm0? -55.92 -46.9 99.69 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.585 ' C ' ' H ' ' A' ' 48' ' ' GLY . 44.9 Cg_exo -52.12 114.17 1.52 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.727 2.285 . . . . 0.0 112.115 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.69 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 0.0 110.783 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 85.72 173.92 49.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLY . 72.0 Cg_exo -43.44 -179.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.856 2.371 . . . . 0.0 112.148 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.03 86.03 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -117.88 120.74 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 143.2 27.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 19.9 p80 -84.99 158.96 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -146.02 -17.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.627 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -105.22 162.52 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.517 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -86.17 97.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 40.9 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -92.95 9.54 35.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.492 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -60.2 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.312 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -60.4 -30.47 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.01 179.638 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -74.83 -44.36 49.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.59 -18.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -97.53 -30.03 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.6 -21.56 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 60.0 t80 -81.46 -18.9 43.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.74 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.9 tp -129.2 43.75 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.37 126.87 32.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.979 0.418 . . . . 0.0 110.322 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 12' ' ' VAL . 15.4 t -117.31 90.63 34.85 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -52.65 156.99 8.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.741 2.294 . . . . 0.0 112.217 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 58.4 p -55.56 -11.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.782 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -54.75 -29.07 52.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.12 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' CG1' ' A' ' 20' ' ' ILE . 1.8 mp -77.37 -20.1 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.522 0.677 . . . . 0.0 110.034 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.6 -27.04 55.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.227 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -28.18 20.18 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.056 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mm -83.93 -18.28 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.293 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.528 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 3.9 mm -93.81 -44.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.013 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.4 mt -91.49 -17.02 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.945 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -47.74 -48.21 23.79 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 43.4 Cg_exo -53.08 -30.46 49.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.607 2.205 . . . . 0.0 112.068 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -80.78 -40.55 24.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.113 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mt -51.01 -31.73 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -58.81 -50.94 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.248 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 24' ' ' LEU . 5.2 m -71.6 -32.28 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.983 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.621 ' O ' HG23 ' A' ' 32' ' ' VAL . 59.2 t80 -69.6 -38.16 77.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.73 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.533 ' O ' HG22 ' A' ' 33' ' ' VAL . 3.4 tp -70.72 -33.39 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.362 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.8 -37.78 58.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -37.02 80.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 28' ' ' PHE . 68.6 t -66.2 -48.82 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.893 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' H ' ' A' ' 34' ' ' ILE . 26.7 m -68.62 -56.72 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.772 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.713 ' H ' HG23 ' A' ' 33' ' ' VAL . 4.5 tt -60.78 -19.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.106 0.479 . . . . 0.0 110.649 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.06 -56.75 4.66 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.932 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -67.42 -25.83 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 mt -74.81 -39.43 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.916 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.53 -40.45 75.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.15 -35.45 64.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -69.27 -27.5 65.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.287 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.43 -12.63 57.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.123 0.487 . . . . 0.0 110.436 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -60.1 -7.28 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.526 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -92.25 3.33 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.553 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -62.61 76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.503 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LYS . 31.4 mt-30 -145.72 69.02 13.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 48' ' ' GLY . 73.5 Cg_exo -43.96 120.35 2.38 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.86 2.373 . . . . 0.0 112.181 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -67.45 38.99 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.228 0.537 . . . . 0.0 110.945 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 52.69 72.82 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.006 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.62 88.04 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.9 2.4 . . . . 0.0 112.202 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' O ' ' C ' ' A' ' 51' ' ' GLU . 1.9 mm? 58.29 16.64 4.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.4 tm-20 -28.4 102.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -95.33 61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 14.8 m-70 39.69 -124.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 56' ' ' HIS . 33.7 m170 -88.36 -177.74 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -78.18 37.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.54 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.0 m-70 47.76 52.1 13.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.522 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 p -82.55 6.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 7' ' ' THR . 2.0 m-85 -107.89 -22.34 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.37 -36.31 61.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -71.67 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.63 -26.18 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -76.33 -44.92 34.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.376 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.05 -21.96 61.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.216 0.531 . . . . 0.0 110.224 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.85 -19.51 60.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 7.7 mp -92.44 12.6 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 10' ' ' LEU . 26.3 m-20 -136.32 127.23 27.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.143 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.38 84.88 15.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -52.98 134.23 54.75 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.9 2.4 . . . . 0.0 112.155 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -66.4 -13.14 60.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.44 -26.05 52.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.967 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 20' ' ' ILE . 48.8 mt -76.15 -21.85 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 CA-C-O 121.537 0.684 . . . . 0.0 110.029 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.91 -30.39 58.76 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.164 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -90.76 -31.94 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.549 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mm -79.46 -16.76 13.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -104.4 -41.93 7.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.283 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.4 tp -91.42 -18.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.012 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -49.19 -48.01 33.09 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.99 -29.17 53.15 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.703 2.268 . . . . 0.0 112.116 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.53 -42.58 22.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.151 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.0 mm -50.4 -32.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.26 -48.5 73.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -60.35 -37.54 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 15.7 t80 -71.39 -32.59 68.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 29' ' ' LEU . 39.6 tp -72.22 -31.72 66.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.037 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' O ' HG22 ' A' ' 34' ' ' ILE . 2.9 m-85 -72.41 -40.61 67.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.301 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 p -68.37 -38.48 81.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' PHE . 90.5 t -67.98 -47.02 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 6.2 t -58.3 -57.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 30' ' ' PHE . 16.9 tt -62.21 -19.75 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.076 0.465 . . . . 0.0 110.42 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.06 -55.91 8.67 Favored Glycine 0 C--N 1.322 -0.211 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.8 t -66.89 -25.24 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -74.21 -38.5 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.108 179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -46.57 -49.41 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.505 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -51.77 -35.86 45.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.288 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -28.44 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 41' ' ' LEU . 1.3 mm? -86.38 -12.76 48.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -61.97 -9.08 6.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.157 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -93.93 1.5 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.389 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 45' ' ' GLN . 6.5 tpp180 -144.44 -158.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER 29.5 72.99 0.45 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.6 Cg_exo -51.45 101.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.815 2.343 . . . . 0.0 111.934 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -67.73 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 120.18 -168.65 13.82 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -52.69 149.03 26.06 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.748 2.298 . . . . 0.0 112.056 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 114.58 14.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -163.9 103.69 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 33.7 m-70 -57.36 -162.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER 88.1 -157.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.535 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.533 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 36.8 t-80 -68.43 146.86 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.7 OUTLIER -146.96 -68.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.51 ' C ' ' O ' ' A' ' 55' ' ' HIS . 25.8 m170 31.43 77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 18.0 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.551 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.727 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 2' ' ' THR . 59.6 m -89.97 -12.31 39.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -103.43 -7.51 20.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.678 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 5' ' ' TYR . 1.7 p90 -44.71 -32.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.542 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 11.4 t80 -74.75 -62.28 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.79 -11.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -76.47 -37.98 56.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.37 -22.61 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.08 0.467 . . . . 0.0 110.427 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -87.05 -37.32 17.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.385 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -83.63 41.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -136.03 126.74 27.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.217 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' HB ' HD12 ' A' ' 16' ' ' ILE . 31.4 m -71.81 148.92 92.61 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -66.33 141.56 62.69 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.738 2.292 . . . . 0.0 112.081 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.7 p -55.96 -11.27 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.763 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.1 -30.91 60.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 20' ' ' ILE . 69.0 mt -77.82 -17.17 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.619 0.723 . . . . 0.0 109.833 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.685 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.21 -29.08 57.47 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.484 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -90.69 -31.44 16.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.516 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.23 -18.15 11.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.478 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 16' ' ' ILE . 20.4 tt -102.81 -38.74 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.6 tp -87.08 -25.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.802 0.334 . . . . 0.0 110.444 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -43.62 -52.21 6.5 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.5 Cg_exo -53.64 -34.31 73.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.58 2.187 . . . . 0.0 111.685 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.82 -40.73 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.275 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 25' ' ' ILE . 13.9 mt -50.41 -32.35 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -66.67 -36.65 83.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.209 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.5 t -71.19 -35.45 58.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.171 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -70.5 -44.05 68.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.241 179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.684 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.26 -39.78 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.132 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.96 -37.66 81.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' PHE . 74.2 t -68.78 -39.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.661 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 29' ' ' LEU . 79.9 t -64.28 -56.82 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.569 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 tt -65.11 -19.37 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 110.525 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.26 -56.3 5.25 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -26.39 68.51 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.1 mt -75.15 -39.84 43.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.609 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -46.34 -32.22 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.602 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.34 -49.38 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.285 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -64.22 -31.96 73.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.259 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.02 -12.68 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.43 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 38' ' ' TYR . 1.5 tpt180 -63.86 -12.67 38.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.524 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.84 11.29 36.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.272 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -65.81 130.17 42.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -124.13 148.09 56.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' C ' ' H ' ' A' ' 48' ' ' GLY . 48.3 Cg_endo -71.77 68.76 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.724 2.283 . . . . 0.0 111.965 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.51 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 23.9 t70 -67.45 38.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.134 0.492 . . . . 0.0 111.053 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -59.7 -168.26 0.29 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -48.47 116.73 2.21 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.738 2.292 . . . . 0.0 112.018 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' GLU . 5.6 mt -86.14 25.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 50' ' ' LEU . 4.2 tt0 60.48 138.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.475 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -129.1 130.55 46.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 52' ' ' HIS . 0.7 OUTLIER 176.13 170.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -87.73 20.17 3.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.662 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -109.75 -57.98 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -117.84 21.06 13.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.844 0.354 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.2 t -78.73 -33.23 46.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 7' ' ' THR . 23.1 m-85 -38.09 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CZ ' ' OD2' ' A' ' 8' ' ' ASP . 67.2 t80 -41.53 -31.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.97 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -8.59 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.192 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' TYR . 58.8 m -95.13 -52.54 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.471 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.683 ' OD2' ' CZ ' ' A' ' 4' ' ' PHE . 6.4 m-20 -55.16 -22.13 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.273 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 58.9 t80 -77.68 -7.0 55.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.171 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -128.36 17.61 6.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.238 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.99 127.25 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 12' ' ' VAL . 30.4 m -88.12 147.98 41.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.546 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -71.99 136.58 27.61 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.677 2.251 . . . . 0.0 112.161 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.4 t -58.65 -12.46 4.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.687 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -55.88 -29.46 60.0 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 20' ' ' ILE . 1.4 mp -77.39 -18.3 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.37 0.605 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 14' ' ' SER . . . -76.13 -32.47 59.14 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -90.7 -33.95 15.58 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.519 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 19' ' ' ILE . 15.7 mt -75.56 -19.87 15.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.454 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 16' ' ' ILE . 19.4 tt -98.63 -23.14 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mt -91.72 -47.11 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -45.1 -49.69 9.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 35.0 Cg_exo -53.42 -38.04 82.46 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.695 2.263 . . . . 0.0 112.226 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -36.32 32.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -50.64 -32.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -67.48 -39.43 85.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.822 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.86 -39.54 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.4 -39.06 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 33' ' ' VAL . 6.0 tp -72.25 -32.12 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.427 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.8 -36.54 59.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -67.56 -44.16 78.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.26 -40.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 29' ' ' LEU . 44.3 t -60.81 -55.16 26.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.721 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -66.77 -19.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.967 0.413 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -57.1 5.28 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.266 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -26.06 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 HG12 ' A' ' 33' ' ' VAL . 15.3 mt -75.06 -38.46 42.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.288 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.405 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 82.8 t80 -55.19 -50.85 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.618 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 mp -44.01 -37.55 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.316 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -47.03 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.221 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.43 -13.25 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.24 0.543 . . . . 0.0 110.392 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -102.94 -9.38 19.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.785 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 45' ' ' GLN . 28.8 tttt -86.88 19.37 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -54.49 83.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.425 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 2.8 tt0 -164.79 46.55 0.16 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' C ' ' H ' ' A' ' 48' ' ' GLY . 47.1 Cg_endo -71.65 -26.89 19.11 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.622 2.215 . . . . 0.0 111.96 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLY . 21.7 p30 -67.3 38.81 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . -31.77 -75.13 0.05 OUTLIER Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.072 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' O ' HD12 ' A' ' 50' ' ' LEU . 86.5 Cg_exo -40.57 171.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 0.0 112.273 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.7 mp -129.76 81.88 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.556 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 63.78 -148.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -136.15 -44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 54' ' ' HIS . 15.5 m170 -51.98 123.31 10.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' C ' ' O ' ' A' ' 53' ' ' HIS . 8.7 m-70 -31.57 -60.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 56' ' ' HIS . 16.0 p-80 -112.24 -122.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.508 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 55' ' ' HIS . 8.8 t-80 77.28 12.76 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.616 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.471 ' C ' ' N ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -90.33 -36.84 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.8 OUTLIER -49.26 -12.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' N ' ' C ' ' A' ' 2' ' ' THR . 0.4 OUTLIER -85.09 -44.46 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.78 -36.83 59.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.29 -24.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' O ' ' A' ' 3' ' ' TYR . 35.1 m -76.95 -53.06 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.401 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.02 -21.8 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.208 0.528 . . . . 0.0 110.354 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.23 -41.56 76.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.82 16.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.92 126.83 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 12' ' ' VAL . 2.0 m -53.44 151.87 9.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.545 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.2 Cg_endo -69.11 135.22 31.41 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.835 2.357 . . . . 0.0 112.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 p -44.93 -14.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 13' ' ' PRO . 2.4 m120 -56.61 -27.69 58.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.688 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.666 HG22 HG13 ' A' ' 20' ' ' ILE . 13.6 mm -77.14 -23.1 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-O 121.383 0.611 . . . . 0.0 110.272 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.81 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.55 -26.22 54.9 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.898 -1.047 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -29.09 18.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.482 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 19' ' ' ILE . 28.5 mm -85.99 -18.11 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.039 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG13 HG22 ' A' ' 16' ' ' ILE . 3.6 mm -94.29 -46.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.396 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 17' ' ' ALA . 12.7 tt -85.28 -24.62 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' 23' ' ' PRO . . . -52.67 -54.31 28.46 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 32.1 Cg_exo -53.23 -33.79 66.61 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.642 2.228 . . . . 0.0 111.861 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.03 -38.73 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -32.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -50.09 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.44 -179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -71.11 -44.28 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 -179.464 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 5.8 t80 -62.57 -43.31 99.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.37 -33.3 74.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.027 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 34' ' ' ILE . 79.3 t80 -70.86 -40.17 72.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.017 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.453 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -66.33 -46.15 87.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.812 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -56.98 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 30' ' ' PHE . 8.7 tt -58.55 -19.65 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.45 -56.29 7.79 Favored Glycine 0 CA--C 1.517 0.171 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -66.84 -25.54 66.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -38.41 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.874 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.48 40.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.432 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mp -44.57 -45.22 9.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -45.54 75.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.289 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.23 -12.7 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.322 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -81.83 -9.38 59.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.667 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -95.34 28.4 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.3 ttm-85 -151.12 -32.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.428 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 21.28 91.0 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.114 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' A' ' 48' ' ' GLY . 37.1 Cg_exo -52.88 93.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.645 2.23 . . . . 0.0 112.129 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.5 p-10 -67.75 38.77 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.298 0.571 . . . . 0.0 110.766 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.575 ' H ' ' C ' ' A' ' 46' ' ' PRO . . . 51.44 66.17 2.7 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.071 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 48' ' ' GLY . 17.6 Cg_exo -62.57 5.64 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.927 2.418 . . . . 0.0 111.956 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 48' ' ' GLY . 5.1 mt -65.84 -24.02 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -100.65 117.0 33.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -169.17 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.475 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.37 12.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -77.69 113.32 15.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.567 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.411 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 8.3 m80 40.32 -112.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.589 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.411 ' CG ' ' C ' ' A' ' 55' ' ' HIS . 2.2 p-80 171.34 50.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.627 ' C ' ' ND1' ' A' ' 57' ' ' HIS . 1.9 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.561 -179.97 . . . . . . . . 1 1 . 1 stop_ save_