data_6k5t_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6k5t _Structure_validation_residue.Date_analyzed 2019-08-02 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 ' 21' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HB2' HG23 ' A' ' 42' ' ' THR . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.518 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 39' ' ' LYS . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.441 ' OG ' HD13 ' B' ' 202' ' ' ILE . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.514 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.441 HD13 ' OG ' ' A' ' 50' ' ' SER . 12.1 tt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG2' HD13 ' B' ' 202' ' ' ILE . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 47' ' ' LEU . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 HH12 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.437 HG23 HD12 ' B' ' 202' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.727 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.727 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.62 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 41' ' ' THR . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.542 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.528 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.403 HG21 ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.553 HG23 ' HB3' ' A' ' 39' ' ' LYS . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' A' ' 44' ' ' LEU . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' OH ' HG13 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.442 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 HG13 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.406 HG23 HD12 ' B' ' 202' ' ' ILE . 9.1 tt . . . . . 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.404 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 39' ' ' LYS . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.403 HG23 HD12 ' B' ' 202' ' ' ILE . 7.9 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.43 ' OG ' HD13 ' B' ' 202' ' ' ILE . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.43 HD13 ' OG ' ' A' ' 50' ' ' SER . 18.1 tt . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG12 HD22 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' ' HG2' ' A' ' 39' ' ' LYS . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 46' ' ' LYS . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 38' ' ' VAL . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.402 HD11 HG23 ' B' ' 200' ' ' ILE . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HB2' HG23 ' A' ' 42' ' ' THR . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 39' ' ' LYS . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.603 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.466 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.405 ' HB3' HD11 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 14.3 tt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' CG ' ' HG ' ' A' ' 32' ' ' SER . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.501 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 57.7 m80 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.429 ' HB3' HD13 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.743 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 HD22 HG12 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.553 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HB3' HG23 ' A' ' 42' ' ' THR . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.483 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 39' ' ' LYS . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.483 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.454 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.438 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG13 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' H ' HG13 ' A' ' 38' ' ' VAL . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.566 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 39' ' ' LYS . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.401 HH12 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.566 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 tt . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HD12 ' B' ' 202' ' ' ILE . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD11 HG23 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.554 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.511 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.506 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.578 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' HB3' ' OG1' ' A' ' 42' ' ' THR . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.59 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.574 ' OG1' ' HB3' ' A' ' 39' ' ' LYS . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 202' ' ' ILE . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.493 ' OG ' HD13 ' B' ' 202' ' ' ILE . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.59 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.574 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 196' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.493 HD13 ' OG ' ' A' ' 50' ' ' SER . 5.1 tp . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HB2' HG23 ' A' ' 42' ' ' THR . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.498 HG23 ' HB2' ' A' ' 39' ' ' LYS . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.491 ' O ' HD21 ' A' ' 47' ' ' LEU . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.552 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 47' ' ' LEU . 3.0 tt . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.494 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 39' ' ' LYS . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 HG23 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.595 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.566 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 38' ' ' VAL . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 200' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 47' ' ' LEU . 4.5 tp . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.518 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.487 HG23 ' O ' ' B' ' 204' ' ' ASP . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 39' ' ' LYS . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.847 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.84 134.68 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.627 ' P ' ' HZ2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.527 ' O ' HG21 ' A' ' 42' ' ' THR . 11.4 t0 -133.96 134.42 42.52 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.287 -1.324 . . . . 10.0 111.081 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.847 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 10.0 tp10 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 122.086 0.946 . . . . 10.0 111.763 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' HD3' ' O2P' ' B' ' 203' ' ' SEP . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.845 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.441 ' OG ' HD13 ' B' ' 202' ' ' ILE . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.514 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.602 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.441 HD13 ' OG ' ' A' ' 50' ' ' SER . 12.1 tt -122.96 133.35 69.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.585 ' O2P' ' HD3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.845 ' O ' ' HA ' ' A' ' 42' ' ' THR . 17.9 t0 -136.71 119.1 15.75 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.52 -1.218 . . . . 10.0 108.072 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 121.025 0.44 . . . . 10.0 111.923 178.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 204' ' ' ASP . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG2' HD13 ' B' ' 202' ' ' ILE . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 47' ' ' LEU . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 HH12 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.437 HG23 HD12 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -120.86 132.6 69.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.461 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' A' ' 42' ' ' THR . 2.8 t0 -133.7 131.73 39.81 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.45 -1.25 . . . . 10.0 111.449 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 11.3 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 10.0 110.942 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.727 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.727 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.62 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.518 HG21 ' O ' ' B' ' 204' ' ' ASP . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.542 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 1.6 tt -122.1 137.11 56.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.634 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.518 ' O ' HG21 ' A' ' 42' ' ' THR . 18.1 t0 -134.51 136.56 43.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.626 -1.17 . . . . 10.0 112.538 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.633 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.4 tp10 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 121.424 0.63 . . . . 10.0 109.942 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.528 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.403 HG21 ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' HE2' ' HB2' ' B' ' 206' ' ' GLU . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HG ' HD22 ' A' ' 44' ' ' LEU . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' OH ' HG13 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.442 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG13 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.406 HG23 HD12 ' B' ' 202' ' ' ILE . 9.1 tt -121.32 134.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.411 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.626 ' O ' ' HA ' ' A' ' 42' ' ' THR . 29.3 t70 -136.7 127.62 27.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.96 -1.018 . . . . 10.0 112.114 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.58 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . 9.7 tp10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.404 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.666 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 39' ' ' LYS . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' HE2' ' HB2' ' B' ' 206' ' ' GLU . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.403 HG23 HD12 ' B' ' 202' ' ' ILE . 7.9 tt -122.42 136.8 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 41' ' ' THR . 25.6 t0 -137.38 129.69 29.54 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.747 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.592 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 C--O 1.24 0.558 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 174.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.486 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' HE2' ' HB2' ' B' ' 206' ' ' GLU . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.43 ' OG ' HD13 ' B' ' 202' ' ' ILE . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.43 HD13 ' OG ' ' A' ' 50' ' ' SER . 18.1 tt -122.47 131.57 72.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.634 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 42' ' ' THR . 26.2 t0 -137.82 129.43 28.22 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.527 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.468 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . 7.2 tp10 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.98 0.419 . . . . 10.0 110.607 177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG12 HD22 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.745 HG21 ' N ' ' B' ' 204' ' ' ASP . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' B' ' 204' ' ' ASP . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 46' ' ' LYS . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 38' ' ' VAL . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.402 HD11 HG23 ' B' ' 200' ' ' ILE . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.49 139.45 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.745 ' N ' HG21 ' A' ' 42' ' ' THR . 5.2 t0 -129.44 115.88 18.16 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.594 -1.185 . . . . 10.0 107.954 174.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.548 -0.461 . . . . 10.0 110.957 -179.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.647 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.597 HG21 ' H ' ' B' ' 204' ' ' ASP . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.612 ' HE2' ' CA ' ' B' ' 206' ' ' GLU . 2.8 m170 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.603 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.603 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.86 137.28 58.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.508 ' P ' ' HZ2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 41' ' ' THR . 35.4 t70 -132.74 132.41 42.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.469 -1.696 . . . . 10.0 112.159 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.612 ' CA ' ' HE2' ' A' ' 43' ' ' HIS . 8.6 tp10 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.567 ' HB ' ' HB3' ' B' ' 204' ' ' ASP . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.55 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.466 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' HB3' HD11 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 14.3 tt -120.45 136.5 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.557 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.567 ' HB3' ' HB ' ' A' ' 42' ' ' THR . 33.4 t70 -134.39 132.59 39.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.615 -1.175 . . . . 10.0 111.963 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.55 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 8.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.339 0.59 . . . . 10.0 110.552 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' CG ' ' HG ' ' A' ' 32' ' ' SER . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.501 ' HG ' ' CG ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 57.7 m80 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.575 HG21 ' N ' ' B' ' 204' ' ' ASP . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' HD2' ' CG ' ' B' ' 204' ' ' ASP . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' HB3' HD13 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.743 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.743 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp -121.92 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.604 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.575 ' N ' HG21 ' A' ' 42' ' ' THR . 0.5 OUTLIER -140.75 143.48 34.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.915 -1.038 . . . . 10.0 111.342 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.76 0.314 . . . . 10.0 110.339 178.294 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.618 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.681 HG21 ' N ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' HE2' ' HA ' ' B' ' 206' ' ' GLU . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 HD22 HG12 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.553 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -120.94 138.14 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.506 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.681 ' N ' HG21 ' A' ' 42' ' ' THR . 11.0 t0 -135.59 133.87 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.664 -1.153 . . . . 10.0 110.903 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.598 ' HA ' ' HE2' ' A' ' 43' ' ' HIS . 15.1 tp10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.594 0.235 . . . . 10.0 110.812 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.483 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 204' ' ' ASP . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.588 HG21 ' H ' ' B' ' 204' ' ' ASP . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.483 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.454 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.28 139.22 49.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.524 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.588 ' H ' HG21 ' A' ' 42' ' ' THR . 14.0 t0 -132.89 131.62 41.13 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.089 -1.414 . . . . 10.0 111.719 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 10.2 tp10 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.438 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG13 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' H ' HG13 ' A' ' 38' ' ' VAL . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.566 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.64 HG21 ' H ' ' B' ' 204' ' ' ASP . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE3' ' OD1' ' B' ' 204' ' ' ASP . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.401 HH12 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.566 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 10.1 tt -118.13 138.18 49.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.476 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.64 ' H ' HG21 ' A' ' 42' ' ' THR . 23.3 t0 -136.63 129.92 31.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.766 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.654 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.554 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' H ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.76 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HD12 ' B' ' 202' ' ' ILE . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD11 HG23 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.441 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.554 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -121.28 136.49 58.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.478 ' P ' ' HZ2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.553 ' H ' HG21 ' A' ' 42' ' ' THR . 3.9 t0 -137.12 136.05 37.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.587 -1.642 . . . . 10.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.76 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.1 tp10 . . . . . 0 C--N 1.315 -0.927 0 CA-C-O 121.402 0.62 . . . . 10.0 110.853 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.537 ' HZ2' ' P ' ' B' ' 203' ' ' SEP . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 204' ' ' ASP . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.668 HG21 ' CB ' ' B' ' 204' ' ' ASP . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.524 ' NE2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -121.57 127.74 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.537 ' P ' ' HZ2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.668 ' CB ' HG21 ' A' ' 42' ' ' THR . 2.4 t0 -138.3 135.86 35.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.805 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.524 ' HB2' ' NE2' ' A' ' 43' ' ' HIS . 9.4 tp10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.039 -0.413 . . . . 10.0 110.133 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.506 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.578 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.59 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.857 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' B' ' 206' ' ' GLU . 6.0 m170 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' B' ' 204' ' ' ASP . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 202' ' ' ILE . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.493 ' OG ' HD13 ' B' ' 202' ' ' ILE . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.59 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.574 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.493 HD13 ' OG ' ' A' ' 50' ' ' SER . 5.1 tp -122.75 136.29 60.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.606 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.857 ' O ' ' HA ' ' A' ' 42' ' ' THR . 30.4 t70 -134.27 123.06 23.61 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.55 177.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.487 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 8.7 tp10 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 118.216 0.462 . . . . 10.0 111.716 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.63 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' B' ' 204' ' ' ASP . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' HE2' ' HB2' ' B' ' 206' ' ' GLU . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.552 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.465 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 47' ' ' LEU . 3.0 tt -124.19 136.55 60.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.627 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 41' ' ' THR . 28.1 t0 -134.63 127.82 31.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.801 -1.091 . . . . 10.0 112.477 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 43' ' ' HIS . 10.4 tp10 . . . . . 0 C--O 1.239 0.536 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.493 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.687 ' HZ1' ' P ' ' B' ' 203' ' ' SEP . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.494 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.548 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.521 ' HB ' ' HB3' ' B' ' 204' ' ' ASP . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.533 ' HE2' ' HA ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.595 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 HD11 HG23 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.595 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.566 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -120.6 136.76 56.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.687 ' P ' ' HZ1' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 41' ' ' THR . 21.8 t0 -136.04 133.59 37.58 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.795 -1.548 . . . . 10.0 111.727 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.533 ' HA ' ' HE2' ' A' ' 43' ' ' HIS . 8.9 tp10 . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.12 0.486 . . . . 10.0 109.978 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG11 HD12 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.608 ' HZ3' ' P ' ' B' ' 203' ' ' SEP . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.638 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.554 ' HB ' ' HB3' ' B' ' 204' ' ' ASP . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.52 ' HE2' ' CA ' ' B' ' 206' ' ' GLU . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG11 ' A' ' 38' ' ' VAL . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 47' ' ' LEU . 4.5 tp -121.44 134.25 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' SEP . . . . . 0.608 ' P ' ' HZ3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ASP . . . . . 0.638 ' O ' HG23 ' A' ' 41' ' ' THR . 26.9 t0 -138.77 128.11 24.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.274 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.52 ' CA ' ' HE2' ' A' ' 43' ' ' HIS . 9.0 tp10 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 42' ' ' THR . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 39' ' ' LYS . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.49 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 92' ' ' GLN . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' HA ' HD23 ' A' ' 62' ' ' LEU . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 HG21 HG23 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 202' ' ' ILE . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD22 HD13 ' B' ' 202' ' ' ILE . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' A' ' 46' ' ' LYS . 12.1 tt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' THR . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HD13 ' B' ' 202' ' ' ILE . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 199' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.663 HD13 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.733 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.733 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 47' ' ' LEU . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.64 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' B' ' 202' ' ' ILE . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 54' ' ' ARG . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.765 HD13 HD22 ' A' ' 47' ' ' LEU . 1.6 tt . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG12 HD11 ' A' ' 47' ' ' LEU . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.729 HG23 ' HB3' ' A' ' 39' ' ' LYS . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 47' ' ' LEU . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.792 HD22 HD13 ' B' ' 202' ' ' ILE . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.432 ' OH ' HG11 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' HB2' ' A' ' 55' ' ' GLN . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 199' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.792 HD13 HD22 ' A' ' 47' ' ' LEU . 9.1 tt . . . . . 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HD11 ' A' ' 47' ' ' LEU . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 39' ' ' LYS . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 47' ' ' LEU . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.662 HD22 HD13 ' B' ' 202' ' ' ILE . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 55' ' ' GLN . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.614 ' HB3' HD11 ' A' ' 88' ' ' ILE . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' PHE . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.662 HD13 HD22 ' A' ' 47' ' ' LEU . 7.9 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.431 ' OG1' HD11 ' A' ' 47' ' ' LEU . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.858 ' HG2' HD11 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HD13 ' B' ' 202' ' ' ILE . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.455 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 46' ' ' LYS . 18.1 tt . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.666 HG11 HD21 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.404 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 39' ' ' LYS . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HA ' HD23 ' A' ' 47' ' ' LEU . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' B' ' 202' ' ' ILE . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 202' ' ' ILE . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' HD12 ' A' ' 44' ' ' LEU . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.824 HD11 HD22 ' A' ' 47' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.766 ' HB2' HG23 ' A' ' 42' ' ' THR . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.426 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 39' ' ' LYS . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HD13 ' B' ' 202' ' ' ILE . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.405 ' OG ' HD12 ' B' ' 202' ' ' ILE . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.613 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.535 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.463 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' B' ' 202' ' ' ILE . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.587 HD22 HD13 ' B' ' 202' ' ' ILE . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.474 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 63' ' ' ARG . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 47' ' ' LEU . 14.3 tt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 59.1 m-70 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.741 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.741 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 199' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 87' ' ' VAL . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.494 HG21 HG13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 47' ' ' LEU . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 75' ' ' HIS . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.494 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 25' ' ' LYS . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.56 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 42' ' ' THR . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 39' ' ' LYS . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 199' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.432 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 42' ' ' THR . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 39' ' ' LYS . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' O ' HD23 ' A' ' 47' ' ' LEU . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD22 HD13 ' B' ' 202' ' ' ILE . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.6 HD13 HD22 ' A' ' 47' ' ' LEU . 10.1 tt . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG12 HD11 ' A' ' 47' ' ' LEU . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.428 HG21 HG13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD13 HG21 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' THR . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.631 HG21 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.522 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 75' ' ' HIS . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.786 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.522 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HB3' ' OG1' ' A' ' 42' ' ' THR . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.591 ' OG1' ' HB3' ' A' ' 39' ' ' LYS . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HA ' HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 196' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 47' ' ' LEU . 5.1 tp . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HB2' HG23 ' A' ' 42' ' ' THR . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.653 HG23 ' HB2' ' A' ' 39' ' ' LYS . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.863 HD13 HD13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' OG ' HD12 ' B' ' 202' ' ' ILE . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.451 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.863 HD13 HD13 ' A' ' 47' ' ' LEU . 3.0 tt . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 HD11 ' A' ' 47' ' ' LEU . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD13 HG21 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.622 HG21 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG12 HD11 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 202' ' ' ILE . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 200' ' ' ILE . . . . . 0.43 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 202' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' LEU . 4.5 tp . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 42' ' ' THR . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' O ' ' B' ' 204' ' ' ASP . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.814 HG22 ' H ' ' B' ' 204' ' ' ASP . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.853 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.49 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 92' ' ' GLN . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' HA ' HD23 ' A' ' 62' ' ' LEU . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.84 134.68 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.814 ' H ' HG22 ' A' ' 42' ' ' THR . 11.4 t0 -133.96 134.42 42.52 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.287 -1.324 . . . . 10.0 111.081 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.853 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 10.0 tp10 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 122.086 0.946 . . . . 10.0 111.763 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HD3' ' O2P' ' B' ' 203' ' ' SEP . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.851 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 202' ' ' ILE . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD22 HD13 ' B' ' 202' ' ' ILE . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' A' ' 46' ' ' LYS . 12.1 tt -122.96 133.35 69.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 203' ' ' SEP . . . . . 0.598 ' O2P' ' HD3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.851 ' O ' ' HA ' ' A' ' 42' ' ' THR . 17.9 t0 -136.71 119.1 15.75 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.52 -1.218 . . . . 10.0 108.072 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 121.025 0.44 . . . . 10.0 111.923 178.86 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 204' ' ' ASP . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.706 HG22 ' H ' ' B' ' 204' ' ' ASP . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HD13 ' B' ' 202' ' ' ILE . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 199' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.663 HD13 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -120.86 132.6 69.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.706 ' H ' HG22 ' A' ' 42' ' ' THR . 2.8 t0 -133.7 131.73 39.81 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.45 -1.25 . . . . 10.0 111.449 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 11.3 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 10.0 110.942 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.733 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.733 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 47' ' ' LEU . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.64 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.683 HG22 ' H ' ' B' ' 204' ' ' ASP . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' B' ' 202' ' ' ILE . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 54' ' ' ARG . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.765 HD13 HD22 ' A' ' 47' ' ' LEU . 1.6 tt -122.1 137.11 56.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 42' ' ' THR . 18.1 t0 -134.51 136.56 43.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.626 -1.17 . . . . 10.0 112.538 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.645 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.4 tp10 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 121.424 0.63 . . . . 10.0 109.942 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG12 HD11 ' A' ' 47' ' ' LEU . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 204' ' ' ASP . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.928 HG22 ' H ' ' B' ' 204' ' ' ASP . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 47' ' ' LEU . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.792 HD22 HD13 ' B' ' 202' ' ' ILE . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' OH ' HG11 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' HB2' ' A' ' 55' ' ' GLN . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 199' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.792 HD13 HD22 ' A' ' 47' ' ' LEU . 9.1 tt -121.32 134.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.928 ' H ' HG22 ' A' ' 42' ' ' THR . 29.3 t70 -136.7 127.62 27.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.96 -1.018 . . . . 10.0 112.114 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 176.028 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HD11 ' A' ' 47' ' ' LEU . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.798 HG22 ' H ' ' B' ' 204' ' ' ASP . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' B' ' 206' ' ' GLU . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.662 HD22 HD13 ' B' ' 202' ' ' ILE . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 55' ' ' GLN . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.614 ' HB3' HD11 ' A' ' 88' ' ' ILE . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' PHE . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.662 HD13 HD22 ' A' ' 47' ' ' LEU . 7.9 tt -122.42 136.8 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.798 ' H ' HG22 ' A' ' 42' ' ' THR . 25.6 t0 -137.38 129.69 29.54 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.747 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 C--O 1.24 0.558 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 174.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.901 HG22 ' H ' ' B' ' 204' ' ' ASP . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.858 ' HG2' HD11 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HD13 ' B' ' 202' ' ' ILE . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.455 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 46' ' ' LYS . 18.1 tt -122.47 131.57 72.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.901 ' H ' HG22 ' A' ' 42' ' ' THR . 26.2 t0 -137.82 129.43 28.22 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.527 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.98 0.419 . . . . 10.0 110.607 177.336 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.666 HG11 HD21 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.404 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.833 HG23 ' H ' ' B' ' 204' ' ' ASP . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' B' ' 204' ' ' ASP . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HA ' HD23 ' A' ' 47' ' ' LEU . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' B' ' 202' ' ' ILE . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 202' ' ' ILE . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' HD12 ' A' ' 44' ' ' LEU . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.824 HD11 HD22 ' A' ' 47' ' ' LEU . 2.2 pp -123.49 139.45 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.833 ' H ' HG23 ' A' ' 42' ' ' THR . 5.2 t0 -129.44 115.88 18.16 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.594 -1.185 . . . . 10.0 107.954 174.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.548 -0.461 . . . . 10.0 110.957 -179.81 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.766 ' HB2' HG23 ' A' ' 42' ' ' THR . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.426 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 39' ' ' LYS . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 2.8 m170 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HD13 ' B' ' 202' ' ' ILE . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.405 ' OG ' HD12 ' B' ' 202' ' ' ILE . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.613 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.535 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.463 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -124.86 137.28 58.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 35.4 t70 -132.74 132.41 42.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.469 -1.696 . . . . 10.0 112.159 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 8.6 tp10 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.791 HG22 ' H ' ' B' ' 204' ' ' ASP . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' B' ' 202' ' ' ILE . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.587 HD22 HD13 ' B' ' 202' ' ' ILE . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.474 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 63' ' ' ARG . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 47' ' ' LEU . 14.3 tt -120.45 136.5 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.791 ' H ' HG22 ' A' ' 42' ' ' THR . 33.4 t70 -134.39 132.59 39.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.615 -1.175 . . . . 10.0 111.963 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 8.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.339 0.59 . . . . 10.0 110.552 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 59.1 m-70 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.649 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HD2' ' CG ' ' B' ' 204' ' ' ASP . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.741 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.741 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 199' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp -121.92 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.649 ' H ' HG23 ' A' ' 42' ' ' THR . 0.5 OUTLIER -140.75 143.48 34.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.915 -1.038 . . . . 10.0 111.342 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.76 0.314 . . . . 10.0 110.339 178.294 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 87' ' ' VAL . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.906 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.471 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 75' ' ' HIS . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.494 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 25' ' ' LYS . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.56 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -120.94 138.14 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.906 ' H ' HG23 ' A' ' 42' ' ' THR . 11.0 t0 -135.59 133.87 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.664 -1.153 . . . . 10.0 110.903 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.471 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 15.1 tp10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.594 0.235 . . . . 10.0 110.812 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 42' ' ' THR . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 204' ' ' ASP . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.747 HG22 ' H ' ' B' ' 204' ' ' ASP . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 199' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.28 139.22 49.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.747 ' H ' HG22 ' A' ' 42' ' ' THR . 14.0 t0 -132.89 131.62 41.13 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.089 -1.414 . . . . 10.0 111.719 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 177.628 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.432 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 42' ' ' THR . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.729 HG22 ' H ' ' B' ' 204' ' ' ASP . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.653 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE3' ' OD1' ' B' ' 204' ' ' ASP . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD22 HD13 ' B' ' 202' ' ' ILE . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.6 HD13 HD22 ' A' ' 47' ' ' LEU . 10.1 tt -118.13 138.18 49.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.729 ' H ' HG22 ' A' ' 42' ' ' THR . 23.3 t0 -136.63 129.92 31.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.766 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.653 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG12 HD11 ' A' ' 47' ' ' LEU . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.755 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.768 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD13 HG21 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' THR . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.631 HG21 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -121.28 136.49 58.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.755 ' H ' HG23 ' A' ' 42' ' ' THR . 3.9 t0 -137.12 136.05 37.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.587 -1.642 . . . . 10.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.768 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.1 tp10 . . . . . 0 C--N 1.315 -0.927 0 CA-C-O 121.402 0.62 . . . . 10.0 110.853 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.522 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 204' ' ' ASP . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.705 HG23 ' CB ' ' B' ' 204' ' ' ASP . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 75' ' ' HIS . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.786 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.522 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -121.57 127.74 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.705 ' CB ' HG23 ' A' ' 42' ' ' THR . 2.4 t0 -138.3 135.86 35.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.805 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.531 ' HB2' ' NE2' ' A' ' 43' ' ' HIS . 9.4 tp10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.039 -0.413 . . . . 10.0 110.133 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HB3' ' OG1' ' A' ' 42' ' ' THR . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.85 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' B' ' 206' ' ' GLU . 1.7 m-70 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' B' ' 204' ' ' ASP . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 196' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 47' ' ' LEU . 5.1 tp -122.75 136.29 60.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.85 ' O ' ' HA ' ' A' ' 42' ' ' THR . 30.4 t70 -134.27 123.06 23.61 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.55 177.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 8.7 tp10 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 118.216 0.462 . . . . 10.0 111.716 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HB2' HG23 ' A' ' 42' ' ' THR . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.642 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.839 HG22 ' H ' ' B' ' 204' ' ' ASP . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.863 HD13 HD13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' OG ' HD12 ' B' ' 202' ' ' ILE . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.451 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.863 HD13 HD13 ' A' ' 47' ' ' LEU . 3.0 tt -124.19 136.55 60.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.839 ' H ' HG22 ' A' ' 42' ' ' THR . 28.1 t0 -134.63 127.82 31.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.801 -1.091 . . . . 10.0 112.477 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.419 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 10.4 tp10 . . . . . 0 C--O 1.239 0.536 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 HD11 ' A' ' 47' ' ' LEU . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' H ' ' B' ' 204' ' ' ASP . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD13 HG21 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.746 HD11 ' HB2' ' B' ' 204' ' ' ASP . 0.3 OUTLIER -120.6 136.76 56.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 203' ' ' SEP . . . . . 0.441 ' N ' HD12 ' B' ' 202' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' B' ' 202' ' ' ILE . 21.8 t0 -136.04 133.59 37.58 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.795 -1.548 . . . . 10.0 111.727 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.12 0.486 . . . . 10.0 109.978 176.635 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG12 HD11 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.664 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' H ' ' B' ' 204' ' ' ASP . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' B' ' 204' ' ' ASP . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 202' ' ' ILE . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ILE . . . . . 0.43 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' LEU . 4.5 tp -121.44 134.25 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 41' ' ' THR . 26.9 t0 -138.77 128.11 24.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.274 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 176.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 42' ' ' THR . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 39' ' ' LYS . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.49 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 92' ' ' GLN . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' HA ' HD23 ' A' ' 62' ' ' LEU . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 HG21 HG23 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 202' ' ' ILE . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD22 HD13 ' B' ' 202' ' ' ILE . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' A' ' 46' ' ' LYS . 12.1 tt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 42' ' ' THR . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HD13 ' B' ' 202' ' ' ILE . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.663 HD13 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.733 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.733 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 47' ' ' LEU . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.64 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' B' ' 202' ' ' ILE . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 54' ' ' ARG . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.765 HD13 HD22 ' A' ' 47' ' ' LEU . 1.6 tt . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG12 HD11 ' A' ' 47' ' ' LEU . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.729 HG23 ' HB3' ' A' ' 39' ' ' LYS . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 47' ' ' LEU . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.792 HD22 HD13 ' B' ' 202' ' ' ILE . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.432 ' OH ' HG11 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' HB2' ' A' ' 55' ' ' GLN . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.792 HD13 HD22 ' A' ' 47' ' ' LEU . 9.1 tt . . . . . 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HD11 ' A' ' 47' ' ' LEU . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' HB2' ' A' ' 39' ' ' LYS . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 47' ' ' LEU . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.662 HD22 HD13 ' B' ' 202' ' ' ILE . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 55' ' ' GLN . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.614 ' HB3' HD11 ' A' ' 88' ' ' ILE . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' PHE . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.662 HD13 HD22 ' A' ' 47' ' ' LEU . 7.9 tt . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.431 ' OG1' HD11 ' A' ' 47' ' ' LEU . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.858 ' HG2' HD11 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HD13 ' B' ' 202' ' ' ILE . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.455 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 46' ' ' LYS . 18.1 tt . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.666 HG11 HD21 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.404 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' OG1' ' HG2' ' A' ' 39' ' ' LYS . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HA ' HD23 ' A' ' 47' ' ' LEU . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' B' ' 202' ' ' ILE . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 202' ' ' ILE . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' HD12 ' A' ' 44' ' ' LEU . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.824 HD11 HD22 ' A' ' 47' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.766 ' HB2' HG23 ' A' ' 42' ' ' THR . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.426 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 39' ' ' LYS . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HD13 ' B' ' 202' ' ' ILE . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.405 ' OG ' HD12 ' B' ' 202' ' ' ILE . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.613 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.535 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.463 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' B' ' 202' ' ' ILE . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.587 HD22 HD13 ' B' ' 202' ' ' ILE . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.474 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 63' ' ' ARG . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 47' ' ' LEU . 14.3 tt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 57.7 m80 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.741 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.741 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 87' ' ' VAL . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.494 HG21 HG13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 47' ' ' LEU . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 75' ' ' HIS . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.494 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 25' ' ' LYS . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.56 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 42' ' ' THR . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 39' ' ' LYS . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.432 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 42' ' ' THR . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 39' ' ' LYS . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' O ' HD23 ' A' ' 47' ' ' LEU . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD22 HD13 ' B' ' 202' ' ' ILE . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.6 HD13 HD22 ' A' ' 47' ' ' LEU . 10.1 tt . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG12 HD11 ' A' ' 47' ' ' LEU . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.428 HG21 HG13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD13 HG21 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' THR . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.631 HG21 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.522 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 75' ' ' HIS . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.786 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.522 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HB3' ' OG1' ' A' ' 42' ' ' THR . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.591 ' OG1' ' HB3' ' A' ' 39' ' ' LYS . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HA ' HD13 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 47' ' ' LEU . 5.1 tp . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HB2' HG23 ' A' ' 42' ' ' THR . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.653 HG23 ' HB2' ' A' ' 39' ' ' LYS . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.863 HD13 HD13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' OG ' HD12 ' B' ' 202' ' ' ILE . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.451 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.863 HD13 HD13 ' A' ' 47' ' ' LEU . 3.0 tt . . . . . 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 HD11 ' A' ' 47' ' ' LEU . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD13 HG21 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.622 HG21 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG12 HD11 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 202' ' ' ILE . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 200' ' ' ILE . . . . . 0.43 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' LEU . 4.5 tp . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 39' ' ' LYS . 20.7 m-85 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.849 0.356 . . . . 10.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -106.38 111.3 34.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.219 -0.66 . . . . 10.0 109.219 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -93.13 111.75 23.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.903 0.383 . . . . 10.0 110.608 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.4 mt -93.65 152.83 18.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.185 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -96.63 105.95 18.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.983 0.421 . . . . 10.0 110.521 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 48.5 t -103.98 83.71 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.733 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.56 115.52 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.256 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.25 161.07 52.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.585 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.26 -24.95 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.209 0.528 . . . . 10.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -87.08 11.29 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 10.0 111.543 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 m 64.91 59.68 0.87 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.471 0.653 . . . . 10.0 111.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 p -115.2 137.89 51.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.063 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.1 99.0 9.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.339 0.59 . . . . 10.0 110.747 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.1 mm -108.33 121.79 61.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -98.74 104.21 16.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.728 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.13 109.05 20.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -99.4 119.48 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.43 0.633 . . . . 10.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.77 -177.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.115 -0.948 . . . . 10.0 110.8 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 42' ' ' THR . 86.7 mttt -123.82 -176.59 3.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.784 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.525 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.2 tpp -90.86 -28.18 18.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' O ' ' B' ' 204' ' ' ASP . 7.9 t -79.36 -26.61 42.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 112.093 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.814 HG22 ' H ' ' B' ' 204' ' ' ASP . 70.1 p -63.27 145.45 55.5 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.512 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.853 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 57.7 m170 -89.77 145.88 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -74.62 -10.56 59.66 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.272 -0.571 . . . . 10.0 109.677 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -60.52 -51.94 67.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.103 -0.953 . . . . 10.0 110.43 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HG3' ' OE2' ' A' ' 49' ' ' GLU . 20.6 tttp -73.83 -24.77 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -61.33 -38.83 88.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.842 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -67.69 -48.79 65.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.914 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' OE2' ' HG3' ' A' ' 46' ' ' LYS . 19.8 pt-20 -66.95 -34.66 78.25 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.75 -0.38 . . . . 10.0 111.299 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.0 m -61.3 -39.56 90.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 10.0 110.73 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -68.03 -37.92 81.92 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 7.0 m -63.8 -42.77 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.239 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.67 -34.47 77.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.565 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -67.2 -38.0 84.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.83 -14.93 40.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 10.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.13 43.16 17.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.862 -0.685 . . . . 10.0 111.704 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -132.16 155.34 81.44 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 122.112 0.165 . . . . 10.0 110.787 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.04 161.75 25.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.612 2.208 . . . . 10.0 111.471 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.49 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 14.4 ttt -74.7 148.33 40.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.699 0.285 . . . . 10.0 111.067 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.2 t30 72.33 18.24 4.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.583 0.753 . . . . 10.0 112.022 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 p -91.28 -18.56 24.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.403 0.62 . . . . 10.0 109.989 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 92' ' ' GLN . 16.7 mt -122.32 145.54 48.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.212 -0.904 . . . . 10.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 19.3 ptt-85 -118.06 128.75 55.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.969 0.414 . . . . 10.0 110.327 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -90.6 127.79 36.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.804 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.8 mt -114.19 117.81 32.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.068 0.461 . . . . 10.0 111.322 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' HE1' ' OD1' ' A' ' 86' ' ' ASP . 88.5 t80 -121.84 111.47 17.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.207 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 59.65 33.62 22.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.811 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.36 6.32 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.83 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -81.43 153.46 26.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.821 0.343 . . . . 10.0 111.009 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -96.86 140.53 31.28 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -77.02 125.53 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.054 0.454 . . . . 10.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.03 166.02 13.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -14.14 60.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.018 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -109.32 21.29 17.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 12.5 m170 -90.01 161.33 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.07 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 9.9 p -129.56 150.98 77.2 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.365 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.66 -10.97 30.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.424 2.082 . . . . 10.0 112.198 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.4 tppt? -79.59 -40.45 29.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.321 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.9 pt-20 -78.79 171.55 15.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.694 -0.23 . . . . 10.0 110.831 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.3 mt 72.76 -55.05 0.68 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.633 0.773 . . . . 10.0 111.492 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.05 68.93 0.28 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.702 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -103.24 128.07 50.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.609 0.243 . . . . 10.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 12.8 mm-40 -124.81 -167.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.99 0.424 . . . . 10.0 111.338 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -74.27 141.28 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.187 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 64.67 24.78 12.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.546 0.529 . . . . 10.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t70 -69.95 127.69 33.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.757 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.76 127.34 41.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 111.342 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.2 tt -136.25 146.46 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.779 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -110.82 154.56 23.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.927 0.394 . . . . 10.0 111.337 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.17 123.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.475 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -126.61 160.09 31.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.8 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' HA ' HD23 ' A' ' 62' ' ' LEU . 28.4 tt0 -72.99 138.43 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.803 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.4 mm-40 -78.22 -174.24 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.459 -0.791 . . . . 10.0 110.904 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -107.05 -16.39 14.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.733 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -39.01 87.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.63 -0.714 . . . . 10.0 111.916 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.0 4.19 63.34 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.087 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.944 -0.646 . . . . 10.0 111.91 -179.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 110.606 -0.146 . . . . 10.0 110.606 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.71 121.06 39.22 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 119.447 -0.901 . . . . 10.0 112.196 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -127.98 126.8 42.09 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.804 -1.089 . . . . 10.0 109.421 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -124.33 128.33 6.76 Favored Glycine 0 CA--C 1.502 -0.77 0 C-N-CA 119.738 -1.22 . . . . 10.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 61.2 m -121.46 120.62 35.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.127 -0.629 . . . . 10.0 110.133 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.5 tt -128.22 131.81 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.014 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.5 p -117.63 129.33 74.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 109.217 -0.661 . . . . 10.0 109.217 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.84 134.68 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.292 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.814 ' H ' HG22 ' A' ' 42' ' ' THR . 11.4 t0 -133.96 134.42 42.52 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.287 -1.324 . . . . 10.0 111.081 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.853 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 10.0 tp10 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 122.086 0.946 . . . . 10.0 111.763 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.867 0.365 . . . . 10.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm -117.91 129.75 73.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.118 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.8 ttpm? -97.37 119.6 36.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.138 0.494 . . . . 10.0 110.848 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.89 130.91 46.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.7 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -88.46 102.58 15.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.107 0.479 . . . . 10.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.1 t -90.53 114.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.466 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.95 112.55 31.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.684 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.44 164.74 49.51 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.661 -0.78 . . . . 10.0 111.718 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -64.98 -25.1 67.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.712 0.291 . . . . 10.0 111.385 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -92.43 24.47 3.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 62.32 41.43 10.27 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.968 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.36 137.46 32.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.346 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.21 88.27 2.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 109.835 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 46.9 mm -93.38 132.57 37.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -104.6 99.0 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.117 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.95 111.35 23.69 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.982 0.42 . . . . 10.0 110.532 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.0 m -111.65 159.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.18 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HD3' ' O2P' ' B' ' 203' ' ' SEP . 44.5 tttt -111.91 153.21 27.05 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.802 -0.814 . . . . 10.0 108.802 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.76 69.49 3.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.492 0.663 . . . . 10.0 110.455 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -177.94 -29.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.952 -1.022 . . . . 10.0 108.652 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.851 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -61.15 106.5 0.61 Allowed 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.504 -1.225 . . . . 10.0 112.096 -178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -60.16 129.4 41.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.331 -0.989 . . . . 10.0 108.331 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 27.2 mt -64.53 -10.15 23.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -60.84 -44.56 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.078 0.465 . . . . 10.0 109.911 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HG2' HD11 ' B' ' 202' ' ' ILE . 1.2 ttmp? -75.63 -26.21 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.381 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD22 HD13 ' B' ' 202' ' ' ILE . 2.4 mm? -60.6 -44.49 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.471 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -62.64 -47.16 84.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.74 -40.85 65.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 41.7 m -61.07 -33.99 74.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.668 0.271 . . . . 10.0 111.713 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.65 -36.17 78.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.013 0.435 . . . . 10.0 109.883 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.6 m -65.96 -34.51 78.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.099 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 86.1 mt-30 -64.43 -39.11 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.411 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 -67.08 -33.93 76.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.721 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.57 -9.81 55.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.35 39.07 70.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.136 -0.554 . . . . 10.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 10.2 m -134.37 158.85 74.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 122.863 -0.198 . . . . 10.0 110.906 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 30.4 Cg_endo -65.57 167.98 15.85 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.704 2.269 . . . . 10.0 112.056 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.8 ttt -76.14 153.03 36.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 t30 74.66 2.12 3.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 10.0 111.573 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.9 p -77.53 -38.33 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.31 0.576 . . . . 10.0 110.302 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.3 mt -107.77 130.14 54.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.203 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -98.76 147.87 24.45 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 33.6 m-85 -112.22 120.07 40.52 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.6 mt -111.63 126.31 54.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.073 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -133.68 114.96 14.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.524 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 63.15 28.88 16.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.508 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.52 -1.22 83.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 10.0 113.136 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -116.57 139.49 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.734 -0.274 . . . . 10.0 110.741 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 9.9 ptm180 -84.85 138.55 32.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.087 0.47 . . . . 10.0 110.597 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.97 126.69 31.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.22 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.43 179.1 7.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.471 -0.786 . . . . 10.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -0.74 57.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.685 0.279 . . . . 10.0 111.43 -179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -123.02 12.19 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 10.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.08 154.42 40.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.087 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 3.2 p -130.11 152.21 79.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.466 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.92 0.5 7.05 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.399 2.066 . . . . 10.0 112.555 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -94.2 -2.33 52.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.09 0.472 . . . . 10.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.5 pt-20 -123.54 176.62 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.177 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 51.8 mt 72.7 -53.86 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.619 0.767 . . . . 10.0 111.931 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 124.49 63.38 0.19 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.983 -0.627 . . . . 10.0 112.192 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.6 mtt -99.24 130.27 45.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.8 mm-40 -139.26 -179.96 6.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.6 tp10 -64.51 145.32 56.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.62 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 64.06 27.76 14.21 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.285 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 20.5 t0 -77.2 154.62 32.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.6 133.53 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 10.0 110.547 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.3 tt -133.34 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.183 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -95.97 146.9 24.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.95 0.405 . . . . 10.0 111.229 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 p -142.64 120.81 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.161 0.505 . . . . 10.0 110.583 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -132.03 165.76 23.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.103 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -81.75 135.06 35.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.398 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -75.11 168.74 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -72.68 -32.84 66.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.045 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.57 -48.27 72.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.843 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.17 2.03 66.5 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.915 -0.66 . . . . 10.0 111.965 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.976 -0.63 . . . . 10.0 111.827 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 124.53 48.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.396 0.617 . . . . 10.0 111.647 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.8 132.28 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.298 -0.865 . . . . 10.0 110.546 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.46 127.88 7.24 Favored Glycine 0 N--CA 1.437 -1.25 0 C-N-CA 118.982 -1.58 . . . . 10.0 111.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 20.5 m -118.47 125.33 49.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.7 tt -125.56 134.01 67.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.513 -0.767 . . . . 10.0 111.32 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.35 132.25 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.715 HD11 ' HG2' ' A' ' 46' ' ' LYS . 12.1 tt -122.96 133.35 69.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.882 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . 0.598 ' O2P' ' HD3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.851 ' O ' ' HA ' ' A' ' 42' ' ' THR . 17.9 t0 -136.71 119.1 15.75 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.52 -1.218 . . . . 10.0 108.072 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 121.025 0.44 . . . . 10.0 111.923 178.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.568 0.223 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.2 mm -81.89 115.74 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -96.59 108.71 21.35 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.186 0.517 . . . . 10.0 110.944 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.31 164.79 12.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.683 . . . . 10.0 109.495 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -124.2 112.63 17.28 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 10.0 110.766 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.6 t -90.33 117.01 32.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.217 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.4 mm -87.92 114.36 26.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.12 162.21 40.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.943 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.26 -28.39 69.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.664 0.269 . . . . 10.0 111.115 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -93.98 23.85 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 10.0 111.074 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m 64.06 31.89 13.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.195 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.82 129.55 34.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.888 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -98.72 92.32 5.53 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.701 -0.481 . . . . 10.0 109.701 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.9 mm -91.49 118.32 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.766 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 24.1 m80 -88.66 101.31 13.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.068 0.461 . . . . 10.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.23 109.74 21.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.015 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -104.61 124.81 49.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.017 0.436 . . . . 10.0 110.625 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.4 139.58 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.294 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -89.94 141.16 28.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 47.4 tpp -68.6 93.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 10.0 110.177 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 204' ' ' ASP . 1.0 OUTLIER 175.15 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.18 -0.918 . . . . 10.0 108.908 -179.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.706 HG22 ' H ' ' B' ' 204' ' ' ASP . 6.9 p -62.16 140.45 58.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.154 -1.384 . . . . 10.0 110.57 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -84.67 136.92 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 178.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -62.09 -3.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -62.43 -51.95 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 10.0 110.518 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 26.3 ttmt -72.31 -21.09 61.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HD13 ' B' ' 202' ' ' ILE . 2.9 mm? -59.95 -38.99 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 10.0 110.64 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.37 -52.82 51.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.34 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 13.5 pt-20 -65.66 -29.26 69.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.659 -0.246 . . . . 10.0 111.426 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.9 m -59.82 -42.88 94.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.707 0.289 . . . . 10.0 110.629 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -74.49 -32.86 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.335 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.61 -45.67 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.223 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -70.75 -20.74 62.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.444 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -75.49 -41.22 55.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.424 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.97 -37.88 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.161 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.0 35.88 2.66 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.56 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -130.05 154.69 81.3 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.7 163.41 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.358 2.039 . . . . 10.0 111.639 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.54 146.66 51.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.657 -0.247 . . . . 10.0 110.936 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 76.81 11.35 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.662 0.785 . . . . 10.0 112.158 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 p -87.07 -30.35 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.185 0.516 . . . . 10.0 110.653 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.6 mt -111.46 139.9 46.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.852 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.4 ptt-85 -104.14 125.82 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.258 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.91 123.18 34.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -109.78 127.54 54.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.273 0.558 . . . . 10.0 111.527 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -137.13 114.35 10.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.121 -0.945 . . . . 10.0 108.879 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 65.25 28.0 12.07 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.393 0.433 . . . . 10.0 110.602 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.31 -8.49 70.92 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.97 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -104.8 150.76 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.696 -0.296 . . . . 10.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.6 ptm180 -87.05 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 10.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.88 130.09 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.58 158.61 20.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.629 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -10.42 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.828 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -120.28 20.07 12.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.715 0.293 . . . . 10.0 110.92 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.3 165.41 24.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 10.0 111.088 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -138.26 147.64 56.5 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.232 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.79 -11.16 30.89 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.305 2.003 . . . . 10.0 112.4 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.72 -42.75 70.17 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.123 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.0 pt-20 -85.13 167.86 15.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.655 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 92.0 mt 74.26 -32.95 0.24 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.21 0.604 . . . . 10.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.61 80.19 1.29 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.031 -0.604 . . . . 10.0 111.872 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 67.2 mtt -105.59 117.49 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.916 0.388 . . . . 10.0 110.201 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 77.3 mm-40 -108.55 174.6 5.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.713 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 9.3 tp10 -68.38 137.18 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 50.9 mm-40 69.97 24.49 5.13 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.493 0.496 . . . . 10.0 111.603 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.59 154.87 41.43 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.735 0.303 . . . . 10.0 110.185 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 t -100.69 121.79 51.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 10.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.7 tt -128.45 137.88 56.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -107.12 156.08 19.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.712 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.75 127.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -135.83 161.06 36.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.413 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.82 134.3 41.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.431 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 93' ' ' GLU . 3.4 mm-40 -75.84 153.84 36.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.84 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.324 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -17.75 59.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.188 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.06 -50.08 2.77 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.824 -0.703 . . . . 10.0 112.227 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.27 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.086 -0.338 . . . . 10.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.8 m -119.48 126.43 51.29 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.734 -0.387 . . . . 10.0 111.106 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.51 125.34 46.58 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.86 129.27 7.4 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.172 -1.014 . . . . 10.0 112.403 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 52.9 m -118.86 126.17 51.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.8 tt -121.79 130.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.628 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.4 p -120.37 130.63 74.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.551 0.691 . . . . 10.0 110.593 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.663 HD13 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -120.86 132.6 69.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.967 -1.015 . . . . 10.0 108.74 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.706 ' H ' HG22 ' A' ' 42' ' ' THR . 2.8 t0 -133.7 131.73 39.81 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.45 -1.25 . . . . 10.0 111.449 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 11.3 tp10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.7 0.286 . . . . 10.0 110.942 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.673 0.273 . . . . 10.0 110.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mm -99.44 120.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.733 ' HD2' ' ND1' ' A' ' 35' ' ' HIS . 1.1 ttpm? -96.15 113.23 24.81 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.085 0.469 . . . . 10.0 111.054 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.73 143.32 26.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.537 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -99.85 101.17 12.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.949 0.404 . . . . 10.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.2 t -83.5 106.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.881 -0.785 . . . . 10.0 108.881 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -86.98 110.76 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.8 159.52 42.11 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.729 -0.748 . . . . 10.0 112.143 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -63.75 -28.76 70.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.073 0.463 . . . . 10.0 110.749 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -94.05 21.9 6.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.954 -0.567 . . . . 10.0 111.836 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 m 70.39 17.92 6.82 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.368 0.877 . . . . 10.0 113.368 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.72 125.63 31.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -101.29 114.99 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.942 0.401 . . . . 10.0 110.792 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 3.5 mm -99.04 127.91 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.733 ' ND1' ' HD2' ' A' ' 23' ' ' LYS . 20.0 m-70 -92.67 93.49 8.51 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.18 104.53 16.54 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.995 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -96.27 113.05 24.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 10.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 47' ' ' LEU . 18.2 m -109.44 169.42 3.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.131 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -134.26 139.04 45.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.64 ' O ' ' HB ' ' A' ' 41' ' ' THR . 49.8 tpp -68.6 94.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.3 t 160.98 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.032 -0.985 . . . . 10.0 108.656 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.683 HG22 ' H ' ' B' ' 204' ' ' ASP . 72.6 p -79.48 145.11 33.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.245 -1.343 . . . . 10.0 111.925 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 49.1 m170 -84.3 141.47 30.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.953 -1.129 . . . . 10.0 107.953 177.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 22.9 mt -72.92 -8.7 56.86 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.049 -0.66 . . . . 10.0 110.924 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -60.76 -47.2 87.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.41 0.624 . . . . 10.0 110.106 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -75.63 -24.0 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.179 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' B' ' 202' ' ' ILE . 3.2 mm? -62.53 -47.66 82.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.045 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -62.04 -42.61 99.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.648 -0.705 . . . . 10.0 112.309 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -73.21 -39.72 65.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.821 -0.352 . . . . 10.0 111.869 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -58.55 -36.4 73.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 62.7 t80 -66.4 -45.83 78.63 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.19 -35.95 78.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.626 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 99.1 mt-30 -62.56 -35.52 79.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.734 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 54' ' ' ARG . 18.7 ttt180 -77.4 -34.92 54.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 10.0 110.276 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.3 mm100 -70.39 -40.04 74.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.21 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.29 24.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.03 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.08 157.6 45.35 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.541 0.21 . . . . 10.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.81 177.99 5.05 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.655 2.237 . . . . 10.0 111.602 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 ttt -79.17 156.7 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 10.0 110.869 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t30 72.16 15.12 5.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.961 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.8 p -94.09 -33.6 13.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.388 0.613 . . . . 10.0 109.806 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 mt -114.11 138.61 50.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.06 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.66 131.57 54.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.755 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 124.21 40.83 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.958 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.92 124.01 51.26 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.749 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -127.16 111.84 14.46 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.567 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 60.44 32.24 20.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.063 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -22.95 27.12 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.737 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -89.69 155.34 19.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.737 -0.272 . . . . 10.0 110.326 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -97.9 137.83 36.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.75 0.309 . . . . 10.0 110.328 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.03 121.24 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.153 0.501 . . . . 10.0 111.322 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.82 160.67 21.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.443 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.31 -6.03 45.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.14 0.495 . . . . 10.0 111.09 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -115.53 12.96 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 11.9 m170 -84.53 163.73 19.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.374 -0.376 . . . . 10.0 110.63 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -138.96 154.46 72.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.3 -0.409 . . . . 10.0 109.91 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.77 -7.83 20.67 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.318 2.012 . . . . 10.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.541 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.2 tppt? -75.71 -35.49 60.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.364 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.0 pt-20 -95.9 -178.29 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.162 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 mt 71.65 -57.18 0.62 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.287 0.635 . . . . 10.0 111.374 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.15 76.71 0.68 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.918 -0.658 . . . . 10.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 58.1 mtt -106.31 136.55 45.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.684 0.278 . . . . 10.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.7 mm-40 -130.36 179.79 5.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 10.0 110.72 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 28.1 tp10 -72.68 141.42 48.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.983 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 67.69 23.75 8.59 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.268 0.556 . . . . 10.0 110.514 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.3 t0 -72.8 151.22 42.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.983 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.29 128.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.802 0.334 . . . . 10.0 111.417 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -133.81 139.96 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 10.0 109.67 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -104.99 151.52 23.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.158 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 122.69 18.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.46 161.73 29.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.858 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -83.81 130.5 34.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.36 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.3 mm-40 -72.2 155.57 40.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.171 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.46 -22.4 66.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.269 0.557 . . . . 10.0 110.003 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.11 62.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.52 -0.764 . . . . 10.0 111.192 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.54 -16.05 21.15 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.64 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 111.583 -0.607 . . . . 10.0 111.583 -179.728 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 CA--C 1.513 -0.456 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -119.32 121.42 39.54 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.524 -0.87 . . . . 10.0 111.546 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.59 124.45 41.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.869 -1.06 . . . . 10.0 109.477 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -122.74 131.47 8.29 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 110.381 -1.088 . . . . 10.0 110.381 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 26.7 m -114.35 125.21 53.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.993 0.897 . . . . 10.0 109.828 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -121.98 129.91 75.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.538 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.9 p -120.18 130.09 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.671 0.748 . . . . 10.0 110.161 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.765 HD13 HD22 ' A' ' 47' ' ' LEU . 1.6 tt -122.1 137.11 56.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.286 -0.87 . . . . 10.0 111.786 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.683 ' H ' HG22 ' A' ' 42' ' ' THR . 18.1 t0 -134.51 136.56 43.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.626 -1.17 . . . . 10.0 112.538 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.645 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.4 tp10 . . . . . 0 C--N 1.316 -0.869 0 CA-C-O 121.424 0.63 . . . . 10.0 109.942 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.862 0.363 . . . . 10.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.97 114.55 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.477 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.18 109.09 19.22 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.758 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.0 mt -97.38 140.73 31.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.194 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -92.93 108.83 20.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.93 117.28 38.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.802 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mm -99.05 115.02 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.108 -0.497 . . . . 10.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 174.87 53.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.283 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -73.62 -14.87 61.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 10.0 110.813 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -99.25 17.3 20.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.339 0.59 . . . . 10.0 109.686 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 59.59 43.74 15.48 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 114.981 -1.009 . . . . 10.0 111.926 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.91 140.97 30.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.75 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -101.6 99.76 10.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.884 0.373 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mm -102.41 133.09 47.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 27.8 m170 -102.64 108.97 20.42 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.706 0.289 . . . . 10.0 110.82 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.12 109.45 21.02 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.25 102.03 14.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.314 0.578 . . . . 10.0 110.021 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG12 HD11 ' A' ' 47' ' ' LEU . 10.5 m -91.67 153.75 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.098 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' HG23 ' A' ' 42' ' ' THR . 69.8 tttt -103.93 147.41 27.38 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.537 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -77.13 66.59 2.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.287 0.565 . . . . 10.0 110.183 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 204' ' ' ASP . 0.8 OUTLIER 179.34 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 10.0 110.18 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.928 HG22 ' H ' ' B' ' 204' ' ' ASP . 49.1 p -70.68 138.72 50.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.13 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -79.99 138.63 37.09 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 47' ' ' LEU . 26.0 mt -65.42 -7.58 14.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.98 0.363 . . . . 10.0 111.98 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 51.8 tptt -63.16 -53.31 55.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HA ' ' OE2' ' A' ' 49' ' ' GLU . 25.2 ttmt -71.52 -25.18 62.14 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.729 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.792 HD22 HD13 ' B' ' 202' ' ' ILE . 1.8 mm? -58.81 -49.44 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 51.9 mtpt -63.42 -39.08 93.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.867 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 35.9 mt-10 -65.25 -48.35 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.9 m -58.54 -37.34 75.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.562 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' OH ' HG11 ' A' ' 90' ' ' VAL . 81.2 t80 -66.63 -42.41 86.79 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.882 0.372 . . . . 10.0 110.706 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 81.1 m -59.55 -37.91 79.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 56.5 mt-30 -67.9 -29.71 68.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -91.48 -4.56 55.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.173 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.86 39.14 89.73 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.028 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' HB2' ' A' ' 55' ' ' GLN . 23.1 m -131.45 157.0 79.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 120.525 0.202 . . . . 10.0 110.566 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.39 165.34 32.01 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.253 1.969 . . . . 10.0 110.95 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 15.6 ttt -71.28 156.39 39.58 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.463 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 70.25 19.55 6.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.358 0.599 . . . . 10.0 111.265 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 p -91.58 -38.27 12.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.251 0.548 . . . . 10.0 110.094 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.2 mt -119.25 151.16 38.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.683 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 14.6 ptt-85 -116.74 141.04 48.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -99.4 122.07 42.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.669 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.3 127.61 54.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.151 0.5 . . . . 10.0 111.37 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.21 114.95 11.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.116 -0.947 . . . . 10.0 108.894 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.61 20.91 12.3 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.381 0.425 . . . . 10.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.06 -13.7 66.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.074 -0.584 . . . . 10.0 112.058 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -93.25 146.64 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.276 -0.268 . . . . 10.0 110.276 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -95.73 124.69 39.87 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.046 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.92 123.03 10.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.681 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.34 164.92 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.44 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -23.14 59.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.249 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.45 15.95 27.71 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.638 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -85.13 162.02 19.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 10.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 6.8 p -121.41 152.54 58.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.181 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.2 -7.14 20.45 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.736 2.291 . . . . 10.0 113.209 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.7 tppt? -90.74 -24.33 20.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.58 0.229 . . . . 10.0 111.499 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -88.39 177.73 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.93 -0.308 . . . . 10.0 111.337 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mt 72.38 -50.15 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.994 0.809 . . . . 10.0 111.803 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.78 53.41 0.13 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.334 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtt -91.95 148.23 22.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.749 0.309 . . . . 10.0 110.484 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -152.22 175.16 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.274 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -67.27 139.82 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.523 -0.308 . . . . 10.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 67.33 24.06 9.1 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.601 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -79.29 153.27 30.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.4 t -103.8 126.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.056 0.455 . . . . 10.0 111.698 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.2 tt -128.0 142.7 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.241 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -110.83 157.36 19.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.75 0.31 . . . . 10.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 ' OH ' ' A' ' 51' ' ' TYR . 6.4 p -138.81 133.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -134.78 167.17 21.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.097 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.573 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.2 tt0 -84.45 139.48 32.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.811 0.338 . . . . 10.0 110.656 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 4.2 mm-40 -77.96 159.48 28.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.778 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -67.74 -31.04 70.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.61 . . . . 10.0 109.916 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -26.51 65.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.108 -0.951 . . . . 10.0 111.6 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.29 -41.11 3.04 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.894 -0.67 . . . . 10.0 112.642 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 121.098 -0.573 . . . . 10.0 112.058 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.354 0 N-CA-C 110.236 -0.283 . . . . 10.0 110.236 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.3 m -118.74 129.58 55.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -118.72 128.96 54.99 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.15 -0.685 . . . . 10.0 109.15 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.08 133.61 10.01 Favored Glycine 0 CA--C 1.504 -0.62 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.661 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.4 m -115.44 129.51 56.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.229 0.538 . . . . 10.0 110.585 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.9 tt -120.04 132.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.203 -0.908 . . . . 10.0 110.738 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 3.5 p -117.12 132.31 67.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.752 0.786 . . . . 10.0 109.946 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.792 HD13 HD22 ' A' ' 47' ' ' LEU . 9.1 tt -121.32 134.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.243 -0.889 . . . . 10.0 112.081 -178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.928 ' H ' HG22 ' A' ' 42' ' ' THR . 29.3 t70 -136.7 127.62 27.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.96 -1.018 . . . . 10.0 112.114 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 176.028 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.886 0.374 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -96.38 117.72 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.144 -0.688 . . . . 10.0 109.144 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.4 118.98 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.113 0.482 . . . . 10.0 110.97 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.44 135.65 49.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.672 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -87.34 110.49 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.35 117.98 41.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.667 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.4 mm -98.12 117.85 43.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.39 . . . . 10.0 110.92 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.76 171.38 49.06 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.799 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -68.52 -27.34 66.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 10.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -89.82 19.72 4.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.04 0.447 . . . . 10.0 110.598 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m 61.07 45.76 8.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.356 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -99.89 130.57 46.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.185 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -94.97 93.48 7.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -94.37 132.11 39.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -97.08 113.85 25.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.935 0.398 . . . . 10.0 110.986 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.7 113.27 26.67 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 12.3 ptmt -99.39 107.8 20.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 10.0 110.551 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HD11 ' A' ' 47' ' ' LEU . 9.2 m -106.35 176.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.018 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' HG23 ' A' ' 42' ' ' THR . 59.5 mtpt -126.05 -162.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.581 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.9 tpp -102.49 -35.26 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.035 0.445 . . . . 10.0 110.667 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t -75.03 -21.33 59.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.786 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.798 HG22 ' H ' ' B' ' 204' ' ' ASP . 51.0 p -73.99 146.62 43.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' B' ' 206' ' ' GLU . 15.2 m170 -102.63 143.35 32.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 90.1 mt -66.33 -7.91 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -65.22 -49.93 67.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.121 0.486 . . . . 10.0 109.736 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.15 -24.95 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.373 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.662 HD22 HD13 ' B' ' 202' ' ' ILE . 3.5 mm? -59.15 -51.46 69.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.774 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 10.0 112.332 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -69.18 -30.1 68.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.7 m -69.11 -37.51 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.764 0.316 . . . . 10.0 110.833 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -67.14 -32.88 74.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 10.0 110.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.81 -41.68 98.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -65.31 -34.49 78.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.16 -42.83 93.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB2' HG22 ' A' ' 57' ' ' VAL . 14.2 mm100 -84.87 -9.09 58.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.773 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.39 39.98 55.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 10.0 111.681 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 55' ' ' GLN . 22.4 m -131.08 159.02 73.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.595 -0.302 . . . . 10.0 110.191 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.53 176.13 9.72 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.207 1.938 . . . . 10.0 111.076 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.5 ttt -78.41 158.45 28.71 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.942 -0.303 . . . . 10.0 110.753 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 65.97 34.49 7.06 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.435 0.635 . . . . 10.0 110.083 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -103.6 -38.53 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.111 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.44 151.75 42.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.911 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.2 ptt-85 -109.88 141.8 42.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.203 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.614 ' HB3' HD11 ' A' ' 88' ' ' ILE . 69.6 m-85 -104.62 110.81 23.26 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 10.0 109.194 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.0 mt -104.29 128.28 52.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.288 0.565 . . . . 10.0 112.032 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -133.94 114.84 13.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.021 -0.991 . . . . 10.0 108.889 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 63.26 23.26 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 10.0 111.088 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.73 -13.85 65.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.87 146.55 25.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.791 -0.241 . . . . 10.0 110.507 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -97.29 130.86 44.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 10.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.99 124.41 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.23 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.42 166.64 14.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.429 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.94 -3.0 36.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.894 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -117.83 9.84 13.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 10.0 111.154 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -83.61 153.79 24.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.034 0.445 . . . . 10.0 111.141 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.2 p -120.04 157.43 52.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.038 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.66 1.35 5.77 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.696 2.264 . . . . 10.0 112.48 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -90.42 -25.36 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.999 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.5 pt-20 -97.7 171.21 8.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.576 -0.284 . . . . 10.0 110.539 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 10.9 mt 72.91 -54.68 0.69 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.896 0.747 . . . . 10.0 111.449 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 121.62 77.3 0.44 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.313 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.4 mtt -96.1 115.94 28.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.02 0.438 . . . . 10.0 110.291 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 21.1 mm-40 -118.56 166.38 12.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.921 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 26.1 tp10 -71.42 141.73 50.29 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 7.9 mm-40 68.89 23.85 6.62 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.571 0.544 . . . . 10.0 111.203 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 9.7 t0 -78.3 158.93 28.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.3 t -116.5 123.62 71.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.935 0.398 . . . . 10.0 111.242 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 64' ' ' PHE . 18.9 tt -119.16 144.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.762 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.87 136.36 47.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.739 0.304 . . . . 10.0 110.954 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 6.8 p -129.08 128.77 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.249 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -136.08 157.41 46.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.459 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -72.32 135.45 45.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.88 156.2 39.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -67.62 -26.27 66.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.11 58.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.99 -58.93 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.774 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 111.752 -0.539 . . . . 10.0 111.752 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.84 127.52 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.376 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.08 127.9 52.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.8 130.14 7.95 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.657 -0.782 . . . . 10.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 85.8 m -120.14 128.18 53.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.0 tt -121.24 131.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.837 0.351 . . . . 10.0 111.628 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.23 130.73 72.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.431 0.634 . . . . 10.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.662 HD13 HD22 ' A' ' 47' ' ' LEU . 7.9 tt -122.42 136.8 58.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.22 -0.9 . . . . 10.0 111.651 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.798 ' H ' HG22 ' A' ' 42' ' ' THR . 25.6 t0 -137.38 129.69 29.54 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.747 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 C--O 1.24 0.558 0 N-CA-C 108.53 -0.915 . . . . 10.0 108.53 174.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.755 0.312 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -107.22 116.15 50.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -80.6 108.77 14.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.26 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -114.59 146.56 40.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.271 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -113.85 122.01 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.973 0.416 . . . . 10.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 t -92.96 126.84 45.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.28 111.45 28.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.96 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.12 155.73 23.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.94 -0.648 . . . . 10.0 111.753 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -73.76 -15.68 61.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.042 0.449 . . . . 10.0 110.982 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.81 8.61 38.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.111 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m 63.87 75.17 0.39 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.579 0.704 . . . . 10.0 111.581 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -148.38 109.97 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -77.7 102.01 6.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.855 0.36 . . . . 10.0 110.539 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -88.39 139.34 17.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 10.0 109.995 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.26 96.45 6.37 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.682 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.86 100.07 10.95 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -91.94 106.89 18.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.412 0.625 . . . . 10.0 109.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -94.71 174.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.635 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -132.15 144.71 50.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.202 -0.295 . . . . 10.0 110.202 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.481 ' O ' ' HB ' ' A' ' 41' ' ' THR . 39.7 tpp -74.35 81.13 1.87 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.325 0.583 . . . . 10.0 110.31 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.9 t 170.58 -25.82 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.073 -0.967 . . . . 10.0 109.341 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.901 HG22 ' H ' ' B' ' 204' ' ' ASP . 13.0 p -78.46 131.44 36.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.088 -0.96 . . . . 10.0 111.409 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -72.86 139.82 47.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -63.45 -17.36 62.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.684 0.278 . . . . 10.0 111.554 -179.418 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -62.92 -39.96 96.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 10.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.858 ' HG2' HD11 ' B' ' 202' ' ' ILE . 0.0 OUTLIER -78.4 -30.66 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.431 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD12 HD13 ' B' ' 202' ' ' ILE . 9.0 mp -58.92 -52.44 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.146 0.498 . . . . 10.0 110.719 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.03 -41.16 97.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.395 -0.821 . . . . 10.0 111.976 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.3 pt-20 -69.17 -37.87 78.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.887 -0.325 . . . . 10.0 111.413 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -65.78 -35.53 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 10.0 111.001 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 81.8 t80 -61.9 -42.52 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.8 m -61.75 -38.08 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.843 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 82.6 mt-30 -63.9 -45.22 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.103 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -68.63 -31.6 70.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.407 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.7 mm100 -82.71 -20.8 35.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 10.0 111.19 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.23 40.54 10.11 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.922 -0.656 . . . . 10.0 112.304 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -138.49 160.39 63.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.3 174.16 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.09 1.86 . . . . 10.0 111.363 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -77.44 157.26 30.61 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 t30 67.96 30.93 5.85 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.378 0.608 . . . . 10.0 110.504 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.7 p -105.3 -23.92 12.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.195 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mp -134.75 160.01 39.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.731 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 32.6 ptt-85 -125.76 132.77 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.974 0.416 . . . . 10.0 110.567 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.03 120.21 30.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.826 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.5 mt -105.24 119.02 38.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.037 0.446 . . . . 10.0 110.91 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -128.38 115.53 18.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.502 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 61.69 25.56 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.593 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.84 -3.41 81.04 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.849 -0.691 . . . . 10.0 113.269 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -113.34 140.11 48.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.888 0.344 . . . . 10.0 110.194 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -82.43 126.91 32.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.299 0.571 . . . . 10.0 110.277 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.52 127.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.331 -0.849 . . . . 10.0 111.33 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.62 -166.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.288 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.53 -14.72 16.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.943 0.401 . . . . 10.0 110.885 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -101.19 -3.44 29.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.315 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 42.2 m170 -67.74 158.0 33.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 10.0 111.6 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 34.3 p -118.66 151.89 50.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.908 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 14.4 Cg_exo -70.02 -9.2 25.46 Favored 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.589 2.193 . . . . 10.0 112.937 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -89.6 -30.74 17.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.219 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -82.85 174.3 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.525 0.202 . . . . 10.0 110.995 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 73.25 -52.75 0.7 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.707 0.803 . . . . 10.0 111.388 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.53 51.29 0.1 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.753 -0.737 . . . . 10.0 112.813 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.455 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.1 mtt -82.42 143.65 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.67 171.87 13.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 10.0 111.913 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -74.15 146.1 43.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.52 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 60.96 37.87 17.9 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.368 0.604 . . . . 10.0 110.407 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -101.7 166.64 10.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.335 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.48 146.86 24.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.116 0.484 . . . . 10.0 111.554 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.9 tt -139.52 141.48 35.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.325 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -104.72 153.17 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.706 0.288 . . . . 10.0 110.781 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.76 128.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.082 0.468 . . . . 10.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -126.09 158.62 34.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.203 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.13 143.0 39.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 10.0 110.619 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.0 mm-40 -80.77 154.48 27.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.149 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -78.97 -14.04 59.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.983 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.96 -3.76 58.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.946 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.59 -68.25 3.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.104 -0.57 . . . . 10.0 112.394 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 121.135 -0.555 . . . . 10.0 111.817 -179.738 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 30.2 m -120.52 122.93 41.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.531 -0.867 . . . . 10.0 112.432 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.48 126.31 43.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.819 -1.082 . . . . 10.0 109.12 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.79 129.26 7.59 Favored Glycine 0 C--N 1.316 -0.583 0 N-CA-C 111.195 -0.762 . . . . 10.0 111.195 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 60.1 m -118.5 123.82 46.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.065 0.932 . . . . 10.0 110.351 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.03 132.23 71.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.301 -0.863 . . . . 10.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.4 p -116.0 130.89 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 46' ' ' LYS . 18.1 tt -122.47 131.57 72.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.86 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.901 ' H ' HG22 ' A' ' 42' ' ' THR . 26.2 t0 -137.82 129.43 28.22 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.527 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 120.98 0.419 . . . . 10.0 110.607 177.336 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 110.288 -0.264 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.2 mm -102.54 118.37 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.091 -0.707 . . . . 10.0 109.091 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.2 ttpm? -95.81 123.53 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.111 0.481 . . . . 10.0 110.116 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.64 153.39 35.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.675 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -109.68 116.35 31.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.888 0.375 . . . . 10.0 111.726 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -93.28 121.74 44.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -90.55 115.36 29.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 10.0 110.986 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.92 156.18 35.92 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.823 -0.703 . . . . 10.0 111.864 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -66.34 -27.36 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 10.0 111.205 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -88.34 15.6 7.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.336 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 67.6 55.77 0.61 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.479 0.657 . . . . 10.0 110.547 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -120.27 136.07 54.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.267 -0.879 . . . . 10.0 108.919 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.69 110.42 22.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.994 0.426 . . . . 10.0 110.547 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 9.8 mm -99.65 121.08 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.643 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -92.49 96.25 10.12 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 127.7 48.08 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -124.03 132.19 53.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.148 0.499 . . . . 10.0 111.843 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.666 HG11 HD21 ' A' ' 47' ' ' LEU . 28.0 m -136.0 165.97 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.007 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG2' ' OG1' ' A' ' 42' ' ' THR . 36.0 pttt -103.36 166.11 10.62 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.905 -0.406 . . . . 10.0 109.905 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.404 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.8 tpp -75.33 70.37 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.407 0.622 . . . . 10.0 110.306 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' CE ' ' A' ' 39' ' ' LYS . 1.6 m -177.3 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.812 -1.086 . . . . 10.0 108.414 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.833 HG23 ' H ' ' B' ' 204' ' ' ASP . 3.0 m -51.16 105.0 0.09 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.73 -1.123 . . . . 10.0 111.682 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' B' ' 204' ' ' ASP . 15.0 m80 -63.09 149.39 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.921 -0.582 . . . . 10.0 109.435 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HA ' HD23 ' A' ' 47' ' ' LEU . 35.2 mt -69.83 -2.94 13.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.092 0.473 . . . . 10.0 111.336 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 13.0 tptm -67.7 -43.06 80.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.646 ' HG3' HD13 ' B' ' 202' ' ' ILE . 1.3 tppp? -69.46 -25.2 63.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 10.0 109.94 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 202' ' ' ILE . 2.3 mm? -68.71 -64.84 0.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.975 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -53.83 -42.04 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.026 -0.988 . . . . 10.0 113.049 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 3.6 pt-20 -69.06 -39.38 79.17 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.419 -0.512 . . . . 10.0 111.863 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 42.8 m -72.61 -38.5 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.1 -41.92 93.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.908 0.385 . . . . 10.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 69.5 m -63.24 -35.96 82.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.19 -36.81 80.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.576 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.27 -41.0 94.65 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.409 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -76.39 -26.93 56.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.2 0.524 . . . . 10.0 110.421 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.6 32.7 11.07 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.664 -0.779 . . . . 10.0 111.917 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -127.89 154.73 78.22 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 110.042 -0.355 . . . . 10.0 110.042 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.87 165.3 21.65 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.396 2.064 . . . . 10.0 111.977 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.8 ttt -71.84 151.96 43.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.569 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 74.17 25.81 1.74 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.835 0.709 . . . . 10.0 110.895 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 p -104.1 -25.2 13.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.305 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 92' ' ' GLN . 28.5 mt -126.73 131.91 51.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.618 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 24.4 ptt-85 -101.64 144.71 30.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -109.68 125.14 52.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.909 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.8 mt -112.15 129.94 56.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.1 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -134.57 117.79 16.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.422 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.98 31.83 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.553 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.29 -20.65 39.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.937 -0.649 . . . . 10.0 113.581 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.71 158.59 15.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.09 0.445 . . . . 10.0 110.373 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -98.0 148.2 23.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 10.0 111.157 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.5 mm -72.75 129.82 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.64 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 -162.62 0.74 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.661 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -27.18 13.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.963 0.411 . . . . 10.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -103.35 11.32 36.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.356 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' HD12 ' A' ' 44' ' ' LEU . 9.9 m170 -71.14 141.95 50.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.208 0.528 . . . . 10.0 111.213 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 28.2 p -115.85 156.57 46.35 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.938 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.27 0.18 7.73 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.715 2.276 . . . . 10.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 18.6 tppt? -96.19 -29.25 14.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 10.0 111.221 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -85.49 167.04 15.82 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.924 -0.31 . . . . 10.0 110.664 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 73.56 -47.43 0.66 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.511 0.724 . . . . 10.0 111.814 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.09 71.58 0.37 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.742 -0.742 . . . . 10.0 112.387 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.4 mtt -103.12 141.43 35.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.401 -0.222 . . . . 10.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.4 mm-40 -144.27 178.35 7.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 4.8 tp10 -68.96 145.89 53.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.966 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 63.1 mm-40 67.79 25.2 8.02 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.544 0.527 . . . . 10.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 2.2 t0 -75.94 157.25 33.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.58 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.51 125.25 72.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.0 tt -129.76 142.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.89 150.5 26.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.845 0.355 . . . . 10.0 110.927 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 5.1 p -137.93 129.19 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.316 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -134.93 163.69 29.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.757 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' HD23 ' A' ' 62' ' ' LEU . 23.1 tt0 -75.07 135.46 41.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -74.49 164.66 26.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -74.05 -27.01 60.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.502 . . . . 10.0 109.817 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -41.39 42.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.564 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.74 4.92 78.81 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.852 -0.69 . . . . 10.0 112.283 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.791 -179.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.384 -0.598 . . . . 10.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 116.03 26.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.95 0.881 . . . . 10.0 111.937 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.84 124.76 34.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.976 -1.011 . . . . 10.0 109.866 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -126.85 125.99 5.53 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 119.319 -1.42 . . . . 10.0 111.775 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.6 m -120.16 120.51 36.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.485 -0.931 . . . . 10.0 108.485 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 4.1 tt -130.98 132.91 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.637 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.64 125.55 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.824 HD11 HD22 ' A' ' 47' ' ' LEU . 2.2 pp -123.49 139.45 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.777 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.833 ' H ' HG23 ' A' ' 42' ' ' THR . 5.2 t0 -129.44 115.88 18.16 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.594 -1.185 . . . . 10.0 107.954 174.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 120.548 -0.461 . . . . 10.0 110.957 -179.81 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.858 0.361 . . . . 10.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -111.12 105.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.675 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 2.1 ttpm? -91.87 107.74 19.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.466 0.65 . . . . 10.0 111.032 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.73 152.0 19.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.287 -0.87 . . . . 10.0 109.916 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -106.94 110.45 22.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.807 0.337 . . . . 10.0 111.129 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 8.8 t -98.22 100.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 10.0 108.789 178.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -86.85 115.67 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.588 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.28 174.66 53.33 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -77.22 -13.78 59.88 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.562 -0.375 . . . . 10.0 111.264 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -104.94 19.15 21.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.416 -0.357 . . . . 10.0 111.248 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 m 61.48 57.96 2.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.786 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.09 123.84 48.64 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -80.2 85.63 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.007 0.432 . . . . 10.0 111.152 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 48.8 mm -95.48 114.76 32.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 10.0 110.074 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -102.12 113.45 26.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.377 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.66 97.06 7.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.948 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 8.5 ptmt -89.6 93.83 9.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.539 0.685 . . . . 10.0 111.178 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 m -100.17 -174.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.224 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.766 ' HB2' HG23 ' A' ' 42' ' ' THR . 87.1 mttt -125.94 -165.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.67 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.426 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 34.3 tpp -100.63 -27.89 13.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 10.0 110.688 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.8 t -80.45 -19.46 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.942 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 39' ' ' LYS . 12.7 p -76.23 132.28 39.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.78 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.464 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 2.8 m170 -81.29 143.09 32.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 7.7 mt -67.25 -15.82 63.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.992 0.425 . . . . 10.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -61.11 -51.23 69.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 32.2 tttp -74.04 -29.18 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.856 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 HD13 ' B' ' 202' ' ' ILE . 0.6 OUTLIER -64.29 -39.75 94.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.52 179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -70.45 -45.61 65.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.22 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -64.05 -34.47 78.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 120.888 -0.325 . . . . 10.0 111.644 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.405 ' OG ' HD12 ' B' ' 202' ' ' ILE . 20.4 m -68.41 -36.17 78.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.841 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 54.8 m -62.61 -46.11 89.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.241 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.07 -31.36 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.578 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -66.34 -40.53 89.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.369 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -81.97 -20.92 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.488 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.38 32.36 12.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.284 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.05 155.59 81.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.38 159.78 42.33 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.407 2.072 . . . . 10.0 111.461 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.613 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 20.4 ttt -76.1 153.28 36.42 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.061 -0.256 . . . . 10.0 110.728 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.0 t30 77.63 1.57 2.95 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.106 0.879 . . . . 10.0 111.716 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 79.9 p -86.47 -21.29 27.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.546 . . . . 10.0 110.008 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.26 129.34 56.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.937 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.505 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 16.4 ptt-85 -100.2 132.62 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.373 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 85.0 m-85 -97.54 120.64 38.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.092 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -105.94 112.98 26.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.163 0.506 . . . . 10.0 111.131 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 82' ' ' MET . 51.6 t80 -121.37 112.75 18.95 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 62.97 26.93 15.75 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.17 0.509 . . . . 10.0 110.214 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.06 -12.82 61.07 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -91.68 143.23 26.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.068 -0.345 . . . . 10.0 110.068 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -88.65 127.86 35.58 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.75 -0.463 . . . . 10.0 109.75 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mm -67.32 119.35 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.345 0.593 . . . . 10.0 111.641 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.62 166.48 16.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.325 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -77.2 -11.29 59.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 10.0 111.218 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -108.89 21.58 17.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 8.7 m170 -96.15 156.86 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.179 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.535 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -130.77 152.39 80.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.014 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.32 -18.77 64.44 Favored 'Trans proline' 0 N--CA 1.477 0.558 0 C-N-CA 122.892 2.395 . . . . 10.0 113.502 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.8 tppt? -71.19 -37.03 72.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.449 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.2 pt-20 -85.06 167.26 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.479 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 26.7 mt 73.61 -43.12 0.54 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.356 0.662 . . . . 10.0 111.251 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.21 75.55 0.79 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.816 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.463 ' HG2' ' CZ ' ' A' ' 66' ' ' PHE . 34.3 mtt -105.14 116.95 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 13.7 mm-40 -119.22 -176.31 3.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.983 0.42 . . . . 10.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 9.6 tp10 -68.26 139.51 55.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.831 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 66.37 21.35 10.93 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.707 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -73.74 130.16 39.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -92.86 134.46 30.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.052 0.453 . . . . 10.0 111.987 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -133.25 147.44 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.119 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -111.29 148.1 33.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.9 0.381 . . . . 10.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.86 129.55 71.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.946 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.1 157.83 41.32 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.528 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -80.43 136.69 36.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.658 0.266 . . . . 10.0 110.308 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.505 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.0 mm-40 -77.54 160.67 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.244 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -65.77 -33.01 74.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 10.0 110.346 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 p -64.58 -58.23 6.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.8 10.03 79.85 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.564 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.258 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.7 m -120.21 118.76 31.32 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.664 -0.814 . . . . 10.0 112.431 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.02 126.31 39.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 114.931 -1.031 . . . . 10.0 108.786 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.75 126.65 6.26 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.93 -1.129 . . . . 10.0 111.434 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 57.7 m -122.04 125.45 46.3 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 117.549 0.675 . . . . 10.0 109.529 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 1.6 tt -123.68 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.693 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.07 124.67 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 121.619 0.723 . . . . 10.0 111.081 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -124.86 137.28 58.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.83 178.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 41' ' ' THR . 35.4 t70 -132.74 132.41 42.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.469 -1.696 . . . . 10.0 112.159 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 8.6 tp10 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.795 0.331 . . . . 10.0 110.777 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.05 115.52 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 1.7 ttpt -93.29 119.65 32.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.887 0.375 . . . . 10.0 111.334 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -100.03 139.71 35.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.694 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -87.34 95.39 9.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.999 0.428 . . . . 10.0 110.918 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 62.0 t -87.01 105.73 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.692 -0.686 . . . . 10.0 109.446 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.6 mm -102.98 118.85 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.891 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.71 168.88 44.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.776 -0.726 . . . . 10.0 111.459 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -67.55 -19.77 65.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.028 0.442 . . . . 10.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -86.93 9.11 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.347 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.3 m 62.53 57.08 1.92 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.573 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -113.13 119.96 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.169 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.83 89.43 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 10.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.1 mm -92.21 127.55 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.125 0.488 . . . . 10.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 28.7 m80 -103.08 96.78 7.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.692 -0.686 . . . . 10.0 110.857 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.24 113.93 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -101.52 131.28 47.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.349 0.595 . . . . 10.0 111.316 -179.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.08 171.3 2.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.95 -1.023 . . . . 10.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -126.21 149.9 48.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.6 tpp -75.53 67.68 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.52 0.676 . . . . 10.0 110.482 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.8 t -177.55 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.074 -0.967 . . . . 10.0 109.254 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.791 HG22 ' H ' ' B' ' 204' ' ' ASP . 13.5 p -79.83 131.22 35.83 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.112 -0.949 . . . . 10.0 110.909 -178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 2.8 m170 -79.52 148.79 31.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.048 -1.464 . . . . 10.0 107.048 177.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 53.3 mt -73.33 -4.68 34.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.408 -0.517 . . . . 10.0 111.817 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.38 -53.86 51.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.041 0.448 . . . . 10.0 110.26 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HG2' HD11 ' B' ' 202' ' ' ILE . 20.9 ttmt -68.03 -29.06 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.587 HD22 HD13 ' B' ' 202' ' ' ILE . 2.5 mm? -60.82 -44.37 97.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 59.0 mtpt -62.3 -48.48 79.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.455 -0.793 . . . . 10.0 112.164 -178.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB3' ' SD ' ' A' ' 59' ' ' MET . 7.1 pt-20 -71.85 -36.73 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.973 0.36 . . . . 10.0 111.973 -178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -61.33 -38.1 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.619 0.247 . . . . 10.0 111.493 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.5 -33.61 75.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.871 0.367 . . . . 10.0 110.239 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 61.5 m -65.73 -41.19 92.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.159 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.88 -35.23 80.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.263 0.554 . . . . 10.0 109.807 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.55 -32.07 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 10.0 111.476 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.28 -13.55 30.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.472 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 40.08 11.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.975 -0.631 . . . . 10.0 112.619 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -140.06 157.49 69.09 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 110.349 -0.241 . . . . 10.0 110.349 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.17 159.72 52.71 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.405 2.07 . . . . 10.0 111.458 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.474 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 26.6 ttt -71.18 151.78 44.03 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.089 -0.244 . . . . 10.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 75.96 22.08 1.48 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.789 0.836 . . . . 10.0 111.054 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 p -100.04 -25.12 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 10.0 109.443 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . 16.1 mt -120.52 138.85 53.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.887 -1.051 . . . . 10.0 110.204 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 63' ' ' ARG . 17.9 ptt-85 -104.72 125.56 50.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.996 0.427 . . . . 10.0 110.295 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -93.45 122.59 36.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.303 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 mt -113.82 133.01 55.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.071 0.462 . . . . 10.0 111.827 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -142.83 119.36 11.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.206 -0.906 . . . . 10.0 109.115 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 62.16 30.02 17.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.25 -7.57 71.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.961 -0.638 . . . . 10.0 112.881 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -104.98 158.64 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.998 -0.371 . . . . 10.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 13.7 ptm180 -100.28 139.17 36.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.9 mm -66.52 119.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.1 164.21 16.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.47 -9.2 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.561 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -114.42 13.07 17.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 6.2 m170 -86.17 150.75 24.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.115 0.483 . . . . 10.0 111.083 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.1 p -126.67 160.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.687 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.6 2.06 4.98 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.768 2.312 . . . . 10.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -86.78 -36.28 18.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.32 178.36 5.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.838 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.7 mt 72.27 -41.0 0.49 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.723 0.809 . . . . 10.0 111.804 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 103.43 53.13 0.89 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.578 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.7 mtt -85.59 126.93 34.28 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.6 mm-40 -123.14 176.51 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.931 0.396 . . . . 10.0 111.007 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 32.3 tp10 -68.07 136.4 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.934 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 16.8 mm-40 69.59 23.06 6.02 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.658 0.599 . . . . 10.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.1 t0 -73.42 161.06 30.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.006 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.63 136.8 34.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.044 0.45 . . . . 10.0 111.675 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.6 tt -147.84 131.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.85 152.72 26.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.108 0.48 . . . . 10.0 111.316 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 62' ' ' LEU . 4.0 p -131.99 124.5 53.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.736 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -124.05 160.34 27.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.457 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -79.38 132.57 36.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.084 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.19 158.27 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.388 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -82.56 -13.21 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.431 . . . . 10.0 110.947 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 p -69.37 -55.89 9.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.18 -53.55 0.71 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.133 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 C-N-CA 121.139 -0.553 . . . . 10.0 112.186 179.696 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 2.5 m -116.45 118.24 32.14 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 118.815 -1.154 . . . . 10.0 110.033 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -129.97 125.4 35.32 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.148 -0.933 . . . . 10.0 110.965 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.63 126.16 5.79 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 119.414 -1.375 . . . . 10.0 110.823 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 39.4 m -122.75 120.82 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.606 1.203 . . . . 10.0 109.924 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.2 tt -128.72 132.9 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.766 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 14.6 p -117.57 129.9 73.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 47' ' ' LEU . 14.3 tt -120.45 136.5 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.791 ' H ' HG22 ' A' ' 42' ' ' THR . 33.4 t70 -134.39 132.59 39.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.615 -1.175 . . . . 10.0 111.963 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.557 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 8.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.339 0.59 . . . . 10.0 110.552 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.606 0.241 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.8 mm -101.05 112.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.7 ttpm? -98.65 104.08 16.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.239 0.543 . . . . 10.0 111.132 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.57 146.56 23.68 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -100.49 110.3 22.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.714 0.292 . . . . 10.0 110.67 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -90.19 107.1 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mm -86.61 123.33 39.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.738 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.53 174.62 32.23 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.838 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.47 -36.17 82.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.684 0.278 . . . . 10.0 111.022 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -86.62 22.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.73 0.3 . . . . 10.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 m 66.17 22.64 11.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.818 -0.628 . . . . 10.0 112.669 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.89 132.59 38.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.975 -0.379 . . . . 10.0 109.975 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -107.57 107.69 18.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 10.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 12.4 mm -95.79 127.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.75 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 57.7 m80 -93.71 94.09 8.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.206 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.47 111.39 23.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.861 0.362 . . . . 10.0 110.143 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -98.46 113.44 25.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.815 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.31 172.03 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.695 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -115.37 -173.18 2.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.629 -0.714 . . . . 10.0 109.895 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.7 tpp -96.47 -27.54 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.635 0.255 . . . . 10.0 111.196 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' B' ' 204' ' ' ASP . 5.4 t -72.94 -27.39 61.82 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.539 0.685 . . . . 10.0 110.427 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.649 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.3 OUTLIER -76.43 130.0 37.37 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.885 -1.052 . . . . 10.0 112.083 -178.068 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.51 149.38 24.42 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 75' ' ' HIS . 42.8 mt -69.59 -3.89 16.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -62.36 -48.1 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.458 . . . . 10.0 110.165 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HD2' ' CG ' ' B' ' 204' ' ' ASP . 19.2 tttp -75.53 -24.67 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.8 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -43.01 99.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.09 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.74 -51.81 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 10.0 112.063 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -63.74 -37.73 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.87 0.322 . . . . 10.0 111.87 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.2 m -63.94 -39.21 93.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.523 0.201 . . . . 10.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -65.84 -31.26 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.063 0.459 . . . . 10.0 109.935 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -64.91 -44.11 90.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.797 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.53 -39.5 93.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.077 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.94 -33.28 75.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.476 -0.784 . . . . 10.0 111.343 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -88.52 -13.09 41.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.47 30.35 58.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.965 -0.636 . . . . 10.0 111.887 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.47 157.14 75.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.47 172.56 11.14 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.4 2.067 . . . . 10.0 111.934 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.5 ttt -79.19 153.4 30.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 t30 74.09 14.85 3.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.333 0.653 . . . . 10.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 p -95.2 -24.17 16.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 10.0 110.168 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -125.01 142.08 51.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.509 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -112.0 141.58 45.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.472 . . . . 10.0 109.961 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 88' ' ' ILE . 90.1 m-85 -102.8 118.88 37.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.183 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -101.4 121.76 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.816 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -129.49 110.1 11.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 60.98 26.01 15.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.83 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.46 -19.26 55.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.421 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -93.88 164.32 13.16 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -109.75 136.92 48.31 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -74.71 126.2 35.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.971 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.87 -171.87 3.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.519 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.08 4.06 54.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.481 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -130.9 20.08 5.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 10.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m80 -82.96 154.82 24.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.608 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.591 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -129.46 149.82 73.9 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.229 179.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.741 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 17.3 Cg_exo -66.49 -14.64 44.9 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.595 2.197 . . . . 10.0 112.687 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -75.68 -24.72 56.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.219 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.1 pt-20 -98.7 173.42 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mt 72.12 -53.77 0.69 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.233 0.613 . . . . 10.0 111.493 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.6 59.23 0.27 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 121.06 -0.59 . . . . 10.0 111.996 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.741 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -90.05 125.25 35.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.0 mm-40 -123.59 -178.31 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.289 0.566 . . . . 10.0 111.823 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 26.9 tp10 -71.8 141.49 49.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.92 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 65.91 25.27 11.16 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.582 0.551 . . . . 10.0 110.754 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -72.18 161.64 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.22 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.61 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.143 0.497 . . . . 10.0 111.901 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 64' ' ' PHE . 16.0 tt -122.41 135.14 63.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -110.71 148.54 32.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.983 0.42 . . . . 10.0 111.273 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.2 131.22 65.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -136.5 158.5 44.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.225 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.438 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.8 tt0 -76.41 141.82 41.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.151 0.501 . . . . 10.0 111.476 -178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -81.35 167.76 19.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.325 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -81.36 -26.46 35.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.09 0.471 . . . . 10.0 109.801 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.6 p -69.58 -43.82 72.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.547 -0.752 . . . . 10.0 110.63 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.47 3.78 66.59 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.439 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.625 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 21.2 m -121.97 123.86 42.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.929 0.395 . . . . 10.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.68 46.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.59 -0.893 . . . . 10.0 108.59 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -121.28 129.77 7.9 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.361 -0.923 . . . . 10.0 111.702 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 86.2 m -116.41 126.13 53.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.324 0.583 . . . . 10.0 109.452 178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.3 tt -121.99 133.2 69.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.492 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.2 132.83 64.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.352 0.596 . . . . 10.0 109.892 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 4.9 tp -121.92 130.7 74.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.132 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.649 ' H ' HG23 ' A' ' 42' ' ' THR . 0.5 OUTLIER -140.75 143.48 34.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.915 -1.038 . . . . 10.0 111.342 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.76 0.314 . . . . 10.0 110.339 178.294 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.964 0.411 . . . . 10.0 111.239 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 46.0 mm -92.89 123.75 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.724 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.9 ttpm? -99.46 114.84 28.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 10.0 111.245 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.28 143.55 32.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.808 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 87' ' ' VAL . 45.6 mtpt -96.94 108.28 20.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.922 0.392 . . . . 10.0 111.104 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.2 t -90.75 109.01 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.9 mm -93.21 122.02 44.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.969 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.65 168.34 30.46 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.703 -0.76 . . . . 10.0 111.78 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -72.64 -10.68 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.353 0.597 . . . . 10.0 110.347 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -97.6 16.13 21.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.235 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 62.82 47.62 4.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.542 -0.754 . . . . 10.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 p -106.35 133.46 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.42 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -106.13 91.33 3.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.082 0.468 . . . . 10.0 109.959 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.1 mm -88.64 122.94 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.896 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -85.86 91.49 8.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -95.56 106.78 18.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.69 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 21.5 ptmt -114.88 139.3 49.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.111 0.481 . . . . 10.0 111.731 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG11 HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -146.02 175.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.103 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -97.52 -168.28 1.66 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpp -88.85 -31.75 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.517 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' B' ' 204' ' ' ASP . 3.6 t -74.36 -19.55 60.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.906 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -69.96 118.05 12.31 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 113.131 0.789 . . . . 10.0 113.131 -177.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.471 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 5.9 m-70 -77.88 136.25 38.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.47 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 75' ' ' HIS . 82.1 mt -68.25 -3.86 12.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -66.88 -47.99 70.13 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.782 -0.451 . . . . 10.0 109.782 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 27.4 ttmt -76.71 -16.46 59.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.486 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.513 HD11 HG11 ' A' ' 38' ' ' VAL . 3.9 mm? -65.92 -38.57 89.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.138 0.494 . . . . 10.0 110.32 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -62.46 -45.85 91.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.429 -0.805 . . . . 10.0 110.871 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.3 pt-20 -71.74 -32.71 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.9 m -63.04 -42.19 99.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.738 0.304 . . . . 10.0 110.985 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -66.03 -47.62 73.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.042 0.449 . . . . 10.0 110.067 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 91.1 m -59.86 -36.47 76.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -68.34 -27.25 66.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.09 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -80.7 -32.9 35.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.947 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -89.96 -12.27 39.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.125 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 47.32 8.22 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.511 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 1.6 m -139.77 158.6 67.51 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.569 -0.16 . . . . 10.0 110.569 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.59 177.1 6.52 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.644 2.229 . . . . 10.0 111.938 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.7 ttt -80.42 151.24 29.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t30 70.52 31.62 2.87 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.526 0.679 . . . . 10.0 110.178 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 p -98.2 -30.67 12.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.727 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.49 141.48 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.634 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 27.8 ptt-85 -95.73 136.58 35.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.45 112.57 24.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.768 -0.827 . . . . 10.0 108.768 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 96.4 mt -103.19 128.86 50.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.32 0.581 . . . . 10.0 111.732 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -136.03 116.7 13.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.2 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 62.32 30.42 17.47 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.696 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -32.27 5.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.766 -0.73 . . . . 10.0 112.272 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -82.46 174.02 11.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -114.76 150.15 35.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.963 0.411 . . . . 10.0 111.355 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.7 mm -82.92 119.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.816 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.63 -177.95 5.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.108 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.24 -29.72 61.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.334 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -104.63 67.32 0.81 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.835 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.494 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.1 m170 -133.39 142.0 48.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.9 p -115.43 144.76 32.98 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.067 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.61 -26.19 78.03 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.769 2.313 . . . . 10.0 113.347 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -73.08 -37.19 66.87 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.131 -0.228 . . . . 10.0 111.498 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -78.35 173.66 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.036 -0.266 . . . . 10.0 110.461 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 56.5 mt 72.3 -51.23 0.7 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.476 0.71 . . . . 10.0 110.968 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.07 64.92 0.23 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.924 -0.655 . . . . 10.0 112.59 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -98.37 146.76 25.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.58 0.229 . . . . 10.0 110.442 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -142.6 175.87 9.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.935 0.398 . . . . 10.0 110.956 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.9 tp10 -76.69 150.54 36.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.46 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 62.53 31.27 17.06 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.469 0.481 . . . . 10.0 111.605 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -102.11 160.45 14.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.724 0.297 . . . . 10.0 110.792 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 25' ' ' LYS . 11.3 m -113.31 145.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.024 0.44 . . . . 10.0 111.784 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.43 152.18 36.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 21.4 mt-10 -101.55 150.36 23.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.702 0.287 . . . . 10.0 110.982 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.8 p -148.98 122.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.302 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -135.42 147.43 48.97 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.15 140.47 58.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.249 0.547 . . . . 10.0 110.965 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.55 153.45 29.49 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 10.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -70.59 -25.26 62.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.146 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -24.23 63.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.243 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.48 -55.65 2.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.171 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.059 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.234 0.275 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 1.4 m -119.81 120.78 37.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.225 -0.59 . . . . 10.0 112.07 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -131.02 127.12 37.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.348 -0.842 . . . . 10.0 109.658 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -123.15 127.86 6.81 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 120.177 -1.011 . . . . 10.0 111.67 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 9.1 m -121.67 126.08 48.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.436 0.618 . . . . 10.0 110.973 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 3.7 tt -127.22 130.49 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 116.647 -0.252 . . . . 10.0 111.648 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.08 131.59 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-O 121.067 0.461 . . . . 10.0 110.823 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.56 ' CG2' ' HE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -120.94 138.14 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 123.037 0.535 . . . . 10.0 111.273 -178.24 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.906 ' H ' HG23 ' A' ' 42' ' ' THR . 11.0 t0 -135.59 133.87 38.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.664 -1.153 . . . . 10.0 110.903 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.471 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 15.1 tp10 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.594 0.235 . . . . 10.0 110.812 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.734 0.302 . . . . 10.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 41.4 mm -95.61 116.38 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -89.4 112.29 23.37 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.011 0.434 . . . . 10.0 111.239 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.41 145.31 29.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.857 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -96.78 107.05 19.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.533 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.22 106.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -97.6 122.36 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.947 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.08 171.17 44.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.211 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -68.6 -24.98 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 10.0 111.062 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.64 13.9 11.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m 60.61 79.36 0.25 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.593 0.711 . . . . 10.0 111.304 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.31 126.44 17.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.36 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.08 95.25 10.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.892 0.377 . . . . 10.0 110.776 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.2 mm -95.97 120.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 199' ' ' CYS . 31.4 m170 -85.21 111.29 19.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.44 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -108.67 114.48 28.32 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.799 -0.815 . . . . 10.0 108.799 179.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 10.2 ptmt -107.38 123.69 48.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.228 0.537 . . . . 10.0 111.627 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -112.38 159.27 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.403 -0.817 . . . . 10.0 110.154 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 42' ' ' THR . 22.8 ttpt -107.42 152.58 24.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.496 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 33.0 tpp -76.09 71.21 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 10.0 110.761 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.471 HG22 ' O ' ' B' ' 204' ' ' ASP . 0.9 OUTLIER 175.82 -34.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 10.0 108.814 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.747 HG22 ' H ' ' B' ' 204' ' ' ASP . 21.8 p -68.12 113.07 5.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.32 -178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -65.86 140.85 58.4 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.764 -0.828 . . . . 10.0 108.764 179.324 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 47' ' ' LEU . 80.6 mt -63.24 -5.12 2.99 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -56.28 -54.19 48.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.322 0.582 . . . . 10.0 110.542 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 18.6 ttmt -77.08 -24.9 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 2.1 mm? -63.05 -37.83 88.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.012 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -68.95 -43.69 74.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.257 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 4.3 pt-20 -72.11 -34.65 68.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.812 -0.355 . . . . 10.0 111.113 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -58.86 -38.21 78.25 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.073 0.463 . . . . 10.0 110.13 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -65.5 -45.04 85.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.759 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.5 m -59.33 -42.38 91.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.474 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 90.4 mt-30 -63.49 -44.05 95.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -64.9 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.268 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.82 -17.44 50.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.778 0.323 . . . . 10.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.86 37.44 16.23 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.733 -0.746 . . . . 10.0 112.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 m -128.78 159.2 69.51 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.994 -0.373 . . . . 10.0 109.994 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.44 164.85 31.11 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.299 2.0 . . . . 10.0 111.783 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.5 ttt -70.45 141.31 52.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.687 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 t30 70.9 33.16 2.22 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.806 0.691 . . . . 10.0 111.41 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 p -93.22 -38.73 11.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.293 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -114.09 151.61 32.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.551 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' TYR . 19.6 ptt-85 -102.32 134.58 45.39 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -100.42 119.34 38.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.564 -0.902 . . . . 10.0 108.564 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 69.5 mt -114.28 138.97 49.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.569 0.699 . . . . 10.0 112.09 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -143.42 116.58 8.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.721 -1.127 . . . . 10.0 108.237 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 64.0 25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.356 0.598 . . . . 10.0 110.284 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -20.75 32.44 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.724 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -86.31 157.36 19.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 70' ' ' ARG . 11.2 ptm85 -96.57 137.16 36.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.001 0.429 . . . . 10.0 111.384 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.06 119.28 18.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.153 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.46 161.19 21.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.132 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -16.52 62.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.984 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.23 18.88 21.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.685 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 3.0 m170 -85.74 149.94 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.68 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 27.1 p -120.37 149.08 49.01 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.911 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.36 -13.32 37.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.501 2.134 . . . . 10.0 112.784 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.3 tppt? -79.83 -40.18 29.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.241 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.8 pt-20 -79.45 176.97 9.21 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.633 -0.258 . . . . 10.0 111.055 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 65.9 mt 72.42 -53.02 0.7 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.705 0.802 . . . . 10.0 111.309 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.89 41.45 0.31 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.584 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtt -70.97 145.12 50.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.82 173.69 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.027 0.441 . . . . 10.0 110.99 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.4 tp10 -71.56 138.4 48.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.015 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 8.8 mm-40 69.5 23.11 6.11 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.657 0.598 . . . . 10.0 111.346 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -84.32 148.1 26.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.421 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.18 138.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.922 0.392 . . . . 10.0 111.375 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 tt -127.69 145.1 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.706 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 10.6 mt-10 -103.66 148.62 25.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.716 0.293 . . . . 10.0 110.565 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.7 p -148.52 125.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.892 0.377 . . . . 10.0 110.086 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 92.1 m-85 -138.92 153.48 48.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.334 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.82 136.58 52.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.803 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.8 mm-40 -74.92 169.33 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.368 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -69.73 -34.32 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.841 0.353 . . . . 10.0 110.697 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -43.76 64.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.048 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.13 36.23 35.93 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.318 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.82 -0.705 . . . . 10.0 112.007 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.48 128.14 53.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 10.0 111.762 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.95 128.91 52.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.013 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.49 132.3 9.45 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 121.051 -0.595 . . . . 10.0 111.819 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 1.2 m -117.58 126.4 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.185 -0.606 . . . . 10.0 109.987 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.63 128.56 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.371 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.57 130.9 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.581 0.705 . . . . 10.0 110.282 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.28 139.22 49.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.358 -0.837 . . . . 10.0 110.469 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.747 ' H ' HG22 ' A' ' 42' ' ' THR . 14.0 t0 -132.89 131.62 41.13 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.089 -1.414 . . . . 10.0 111.719 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 10.2 tp10 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.862 -0.422 . . . . 10.0 109.862 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' LYS . 96.9 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.961 0.41 . . . . 10.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.6 mm -115.3 102.45 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.55 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -89.3 111.65 22.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 10.0 111.252 -179.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.6 mt -93.45 151.46 19.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.23 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -108.94 109.77 20.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.246 0.546 . . . . 10.0 110.977 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.8 t -97.37 110.6 25.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.835 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -95.04 113.08 28.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.017 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -78.65 163.76 50.1 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.93 -0.652 . . . . 10.0 111.661 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -71.48 -22.54 61.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.79 0.329 . . . . 10.0 110.665 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -92.08 24.09 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.642 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.4 m 66.49 31.01 8.33 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.432 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.432 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -88.1 127.33 35.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.2 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -102.39 96.82 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 34.6 mm -100.19 124.39 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.061 0.458 . . . . 10.0 110.687 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -100.56 107.45 19.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.4 111.68 24.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 30.9 ttmt -93.98 97.04 10.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.504 0.669 . . . . 10.0 110.441 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 39' ' ' LYS . 2.0 t -88.95 170.81 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.577 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 42' ' ' THR . 57.4 mtmt -131.75 178.15 6.98 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.827 -0.349 . . . . 10.0 110.189 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 37.3 tpp -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.761 0.315 . . . . 10.0 111.623 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.0 t -76.65 -22.14 54.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 10.0 111.783 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.729 HG22 ' H ' ' B' ' 204' ' ' ASP . 35.0 p -81.83 132.8 35.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.861 -0.608 . . . . 10.0 112.248 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.653 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 22.5 m170 -82.57 154.2 25.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.905 -1.146 . . . . 10.0 107.905 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -78.85 2.17 20.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.517 -0.473 . . . . 10.0 111.058 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -67.33 -51.27 54.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.4 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HE3' ' OD1' ' B' ' 204' ' ' ASP . 38.0 ttmt -74.84 -23.87 58.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 10.0 110.618 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD22 HD13 ' B' ' 202' ' ' ILE . 3.0 mm? -59.14 -49.24 78.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.78 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.73 -53.69 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.557 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 5.4 pt-20 -63.83 -39.69 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.8 m -62.92 -37.68 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.618 0.247 . . . . 10.0 111.236 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -66.53 -34.4 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -64.82 -41.4 95.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.716 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 46.9 mt-30 -62.26 -39.75 93.94 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.163 0.506 . . . . 10.0 109.884 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -59.68 -37.36 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.798 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.62 -4.96 56.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.201 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.55 31.0 63.48 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.691 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.27 153.47 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 122.894 -0.18 . . . . 10.0 110.717 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.65 -179.18 2.68 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.816 2.344 . . . . 10.0 112.308 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 146.49 33.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.602 -0.272 . . . . 10.0 110.407 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 69.84 33.55 2.84 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.899 0.75 . . . . 10.0 110.66 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 p -101.18 -51.19 3.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.064 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 70.1 mt -109.83 138.23 46.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.879 -1.055 . . . . 10.0 109.91 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.1 ptt-85 -106.91 149.6 27.3 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -112.2 123.49 50.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.46 125.08 53.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.978 0.418 . . . . 10.0 111.372 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -124.54 101.42 7.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.407 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 58.56 44.55 17.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.125 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.44 87.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.878 -0.677 . . . . 10.0 113.206 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -108.04 117.96 35.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.79 0.295 . . . . 10.0 110.418 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 70' ' ' ARG . 10.2 ptm180 -79.16 118.37 21.06 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.5 mm -54.93 121.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.24 -0.891 . . . . 10.0 112.116 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.36 169.31 11.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.127 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.3 4.71 22.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.41 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -124.11 10.37 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.399 . . . . 10.0 110.777 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -81.97 156.32 24.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 8.6 p -131.96 155.78 80.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.062 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.31 -10.61 29.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 10.0 112.635 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 8.9 tppt? -79.36 -17.47 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.441 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.5 pt-20 -111.99 178.76 4.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.732 -0.469 . . . . 10.0 109.732 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 19.9 mt 71.83 -49.0 0.68 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.285 0.634 . . . . 10.0 111.396 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.53 58.63 0.46 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.574 -0.61 . . . . 10.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.5 mtt -96.88 118.9 34.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.674 0.273 . . . . 10.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -120.26 178.58 4.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.015 0.436 . . . . 10.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 25.1 tp10 -67.96 140.56 56.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.326 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 24.7 mm-40 71.72 15.47 5.9 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.618 0.574 . . . . 10.0 112.34 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 149.32 34.92 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.68 145.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.023 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 tp -134.18 136.89 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.738 -0.468 . . . . 10.0 109.738 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -98.63 135.88 39.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 10.0 110.735 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.57 118.79 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.25 0.548 . . . . 10.0 110.444 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -130.9 175.81 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.635 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -90.39 140.34 29.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.36 . . . . 10.0 111.475 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -75.53 171.02 15.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.756 -0.657 . . . . 10.0 110.994 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -69.6 -37.98 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.15 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -73.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.769 0.319 . . . . 10.0 111.045 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.89 -22.5 2.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.67 -0.776 . . . . 10.0 112.469 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 C-N-CA 120.726 -0.749 . . . . 10.0 111.982 179.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--O 1.238 0.463 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.57 122.92 40.76 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -125.25 129.97 51.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.802 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -120.22 126.5 6.7 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.731 -1.223 . . . . 10.0 110.931 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.98 125.4 48.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 11.3 tt -123.98 132.76 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.434 -0.803 . . . . 10.0 111.859 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 25.4 t -118.09 132.21 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.6 HD13 HD22 ' A' ' 47' ' ' LEU . 10.1 tt -118.13 138.18 49.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.387 -177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.729 ' H ' HG22 ' A' ' 42' ' ' THR . 23.3 t0 -136.63 129.92 31.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.766 178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.653 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 5.7 tp10 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 CA--C 1.519 -0.214 0 N-CA-C 110.528 -0.175 . . . . 10.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.1 mm -90.92 111.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.803 -0.814 . . . . 10.0 108.803 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' ' HB3' ' A' ' 35' ' ' HIS . 3.3 ttpm? -98.22 119.1 36.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.208 0.528 . . . . 10.0 111.523 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.31 152.9 20.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.351 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -104.39 111.42 24.06 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.867 0.365 . . . . 10.0 110.601 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 12.4 t -85.19 117.21 29.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mm -87.58 97.21 6.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 10.0 110.837 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.6 158.19 49.61 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.243 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -71.29 -19.89 62.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 10.0 110.384 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -101.7 21.29 14.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.231 0.538 . . . . 10.0 110.264 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.7 m 65.66 32.34 9.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.166 -0.924 . . . . 10.0 112.07 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -89.94 133.94 34.5 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -98.07 99.04 10.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.053 0.454 . . . . 10.0 110.99 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.579 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 19.9 mm -98.3 123.74 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.202 0.525 . . . . 10.0 109.621 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' ' HD2' ' A' ' 23' ' ' LYS . 22.0 m170 -90.39 106.7 18.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.363 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.03 103.41 15.33 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 37' ' ' LYS . 5.4 ptmt -97.75 115.92 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.323 0.583 . . . . 10.0 111.309 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG12 HD11 ' A' ' 47' ' ' LEU . 4.4 m -112.64 174.32 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.835 . . . . 10.0 110.341 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -126.98 156.89 40.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 21.3 tpp -82.03 70.03 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.1 0.476 . . . . 10.0 110.298 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.55 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.384 -0.825 . . . . 10.0 109.748 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.755 HG23 ' H ' ' B' ' 204' ' ' ASP . 0.2 OUTLIER -64.34 120.53 12.38 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.735 -1.121 . . . . 10.0 112.094 -178.316 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.768 ' NE2' ' HA ' ' B' ' 206' ' ' GLU . 56.1 m170 -60.96 127.19 30.34 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.177 -1.045 . . . . 10.0 108.177 177.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 1.1 mt -63.94 -15.04 58.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.86 0.362 . . . . 10.0 111.63 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -60.11 -52.98 63.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 11.3 ttmt -72.77 -23.22 60.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.174 -179.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD13 HG21 ' B' ' 202' ' ' ILE . 2.5 mm? -57.98 -48.89 78.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.441 0.638 . . . . 10.0 110.159 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -66.7 -41.2 88.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.996 -1.002 . . . . 10.0 111.844 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 8.4 pt-20 -70.51 -36.65 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.716 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.2 m -66.25 -37.14 84.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.775 0.321 . . . . 10.0 110.681 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 83.4 t80 -63.58 -41.4 98.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.0 m -63.22 -39.98 96.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.731 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.4 mt-30 -63.05 -38.78 92.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.8 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -71.77 -36.13 70.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 12.9 mm100 -78.83 -17.31 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.751 0.31 . . . . 10.0 111.369 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.71 36.34 11.95 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.503 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.97 156.17 77.29 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.465 0.174 . . . . 10.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -70.19 160.17 50.51 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.529 2.153 . . . . 10.0 111.807 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.94 158.66 36.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.373 -0.204 . . . . 10.0 110.7 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 t30 76.74 -12.78 1.0 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.79 0.836 . . . . 10.0 111.765 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -71.63 -31.9 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.366 . . . . 10.0 110.822 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.2 mt -108.25 142.43 38.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 90' ' ' VAL . 15.7 ptt-85 -111.62 136.05 51.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 10.0 109.623 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -104.86 119.32 38.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.679 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.95 130.33 55.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.09 0.472 . . . . 10.0 110.677 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -131.2 106.16 8.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.973 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 63.59 33.34 13.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.913 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.65 -30.76 7.05 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.787 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -83.04 145.47 29.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.262 . . . . 10.0 110.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -92.66 136.82 32.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.114 0.483 . . . . 10.0 110.199 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.39 125.57 31.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.387 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.06 168.3 15.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.832 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.74 -30.46 61.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.942 0.401 . . . . 10.0 110.699 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -101.67 35.28 2.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.796 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -88.5 157.14 18.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.861 0.362 . . . . 10.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.54 136.83 23.22 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.225 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 76' ' ' THR . 29.5 Cg_exo -62.63 -11.36 23.16 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 10.0 113.384 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -89.2 -25.75 21.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 10.0 111.051 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.5 pt-20 -86.75 171.7 10.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.04 -47.2 0.67 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.783 0.677 . . . . 10.0 111.023 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.96 72.23 0.53 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.547 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.6 mtt -102.66 121.75 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 23.3 mm-40 -119.99 176.88 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.03 139.3 46.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.409 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 67.82 26.94 7.53 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.701 0.626 . . . . 10.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -77.37 162.03 27.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.588 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.53 128.17 55.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.547 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -132.39 137.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -115.76 140.98 48.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.788 0.328 . . . . 10.0 111.027 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 7.1 p -135.9 124.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.219 0.533 . . . . 10.0 110.522 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.1 167.9 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -82.11 141.31 33.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.021 0.439 . . . . 10.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.23 165.51 20.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.737 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -67.19 -29.96 69.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.558 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -27.16 69.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.829 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.32 -46.1 3.48 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 120.888 -0.672 . . . . 10.0 112.442 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 121.059 -0.591 . . . . 10.0 112.266 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 3.0 m -118.44 121.59 40.7 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.208 -0.997 . . . . 10.0 112.159 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -128.22 123.38 34.09 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.184 -0.917 . . . . 10.0 108.698 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.06 130.28 7.31 Favored Glycine 0 C--N 1.311 -0.81 0 CA-C-O 118.961 -0.91 . . . . 10.0 111.19 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 31.2 m -119.77 123.44 43.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 118.676 1.238 . . . . 10.0 109.79 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.5 tt -123.43 127.93 74.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.126 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.29 133.55 68.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.263 0.554 . . . . 10.0 110.833 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.631 HG21 HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -121.28 136.49 58.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.147 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.755 ' H ' HG23 ' A' ' 42' ' ' THR . 3.9 t0 -137.12 136.05 37.96 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.587 -1.642 . . . . 10.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.768 ' HA ' ' NE2' ' A' ' 43' ' ' HIS . 7.1 tp10 . . . . . 0 C--N 1.315 -0.927 0 CA-C-O 121.402 0.62 . . . . 10.0 110.853 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' LYS . 39.9 mm -96.36 123.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.52 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -96.64 109.27 21.92 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.93 0.395 . . . . 10.0 111.028 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -100.59 139.71 35.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.472 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -96.86 108.36 21.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.079 0.466 . . . . 10.0 111.062 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.4 t -91.86 105.08 16.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.992 -0.744 . . . . 10.0 108.992 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.5 mm -94.1 111.74 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.606 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.49 163.3 51.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.783 -0.722 . . . . 10.0 111.96 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -60.94 -22.66 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 10.0 111.542 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -89.71 14.61 11.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.896 0.379 . . . . 10.0 110.178 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m 65.36 47.75 2.26 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.386 -0.825 . . . . 10.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.7 p -99.84 137.62 38.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.192 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.29 94.5 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.893 0.378 . . . . 10.0 110.133 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 21.0 mm -95.87 126.09 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.932 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.65 104.2 16.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 10.0 110.539 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.93 112.83 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 19.5 ptmt -104.15 121.88 44.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.374 0.607 . . . . 10.0 110.327 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.23 168.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.054 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -115.61 156.37 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.379 -0.601 . . . . 10.0 109.379 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.522 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.3 tpp -70.33 -31.98 69.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.974 0.361 . . . . 10.0 111.974 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 204' ' ' ASP . 1.3 t -70.93 -15.42 62.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.541 0.686 . . . . 10.0 109.91 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.705 HG23 ' CB ' ' B' ' 204' ' ' ASP . 2.2 m -87.28 140.04 29.94 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.978 -1.01 . . . . 10.0 111.915 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' NE2' ' HB2' ' B' ' 206' ' ' GLU . 0.0 OUTLIER -97.4 160.58 14.24 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.052 -1.462 . . . . 10.0 107.052 178.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 75' ' ' HIS . 36.0 mt -77.16 11.88 1.68 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -72.04 -57.43 4.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.903 0.382 . . . . 10.0 110.823 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 49' ' ' GLU . 27.7 ttmt -71.63 -20.18 62.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.268 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.37 -53.24 60.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 10.0 110.219 179.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.32 -48.12 79.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.857 -1.065 . . . . 10.0 112.441 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 5.6 pt-20 -68.8 -37.02 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 10.0 111.886 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 69.1 m -60.5 -38.09 83.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.632 0.253 . . . . 10.0 111.264 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -66.36 -40.84 90.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 40.1 m -65.23 -41.05 94.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.258 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' OE1' ' HA ' ' A' ' 50' ' ' SER . 83.8 mt-30 -62.38 -35.61 79.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 10.0 111.095 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -76.05 -28.42 57.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.904 0.383 . . . . 10.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -84.33 -21.0 31.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.94 33.42 24.04 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.718 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.77 154.12 81.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.222 -0.288 . . . . 10.0 110.222 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.35 167.36 22.5 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.309 2.006 . . . . 10.0 111.374 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.0 ttt -73.97 155.96 38.08 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 121.152 -0.219 . . . . 10.0 110.561 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 t30 73.21 20.21 3.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.352 0.661 . . . . 10.0 110.97 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -96.36 -31.36 12.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 10.0 110.231 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 92' ' ' GLN . 14.3 mt -122.95 140.69 52.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.698 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -106.02 129.76 54.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.814 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -92.38 130.43 38.06 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.6 137.02 51.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.084 0.468 . . . . 10.0 111.203 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -138.48 112.66 8.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.445 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 61.08 26.73 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.489 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 -22.1 42.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.922 -0.656 . . . . 10.0 113.484 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.71 150.83 21.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.89 0.345 . . . . 10.0 110.429 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -84.34 150.88 25.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.502 . . . . 10.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -80.91 131.7 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.517 -0.765 . . . . 10.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.18 164.94 17.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.985 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -19.14 60.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.995 0.368 . . . . 10.0 111.995 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -112.78 23.21 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.788 0.328 . . . . 10.0 111.56 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.786 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.25 147.07 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.271 0.557 . . . . 10.0 110.982 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -113.7 138.92 22.86 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.964 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.77 -20.31 65.33 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.665 2.243 . . . . 10.0 113.427 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.522 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 17.5 tppt? -77.69 -36.31 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.406 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.2 pt-20 -77.06 171.16 15.25 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 121.006 -0.277 . . . . 10.0 110.944 -179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.5 mt 71.29 -70.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.721 0.638 . . . . 10.0 111.148 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.39 62.89 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.465 -0.874 . . . . 10.0 113.042 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 63.6 mtt -99.73 129.1 45.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.488 -0.56 . . . . 10.0 109.488 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 16.6 mm-40 -130.18 -173.99 3.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.449 . . . . 10.0 111.551 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 34.5 tp10 -70.2 140.49 52.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.107 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 26.2 mm-40 68.7 24.53 6.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.774 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -71.28 160.6 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.262 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.5 t -116.75 128.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.662 0.267 . . . . 10.0 110.71 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.1 tt -128.31 136.67 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.802 0.334 . . . . 10.0 110.967 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -106.14 149.99 26.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.218 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.78 125.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.218 0.532 . . . . 10.0 110.495 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -128.46 152.39 48.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.029 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 5.8 tt0 -73.05 139.23 46.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.79 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.7 mm-40 -77.68 160.71 28.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.458 . . . . 10.0 109.965 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -69.86 -34.97 74.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.485 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -60.66 -35.84 77.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.796 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.49 -27.67 17.67 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.938 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 N-CA-C 111.779 -0.528 . . . . 10.0 111.779 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.99 129.58 53.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 10.0 111.214 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.36 130.69 54.51 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.073 -0.512 . . . . 10.0 109.797 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -118.48 131.05 8.98 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.218 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 67.7 m -119.4 126.63 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.216 0.531 . . . . 10.0 110.985 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 6.4 tt -124.17 134.69 65.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.421 -0.809 . . . . 10.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.48 132.49 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 10.0 110.736 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -121.57 127.74 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.868 -178.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.705 ' CB ' HG23 ' A' ' 42' ' ' THR . 2.4 t0 -138.3 135.86 35.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.805 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.531 ' HB2' ' NE2' ' A' ' 43' ' ' HIS . 9.4 tp10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.039 -0.413 . . . . 10.0 110.133 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.743 0.306 . . . . 10.0 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -117.46 112.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.522 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -88.42 119.34 28.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.253 0.549 . . . . 10.0 111.337 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -102.12 132.81 47.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.806 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -88.48 108.3 19.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.878 0.37 . . . . 10.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -102.38 95.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.465 -0.568 . . . . 10.0 109.465 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.34 108.58 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.585 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.33 159.81 53.83 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.026 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -65.44 -18.82 65.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.078 0.466 . . . . 10.0 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.32 8.57 41.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 67.9 40.73 2.28 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.533 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.8 p -99.04 134.1 42.37 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' B' ' 196' ' ' THR . 3.2 mm-40 -83.37 100.01 10.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.76 0.314 . . . . 10.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.1 mm -102.45 100.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.071 0.462 . . . . 10.0 109.823 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -93.21 91.16 7.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.245 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 116.25 28.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 9.3 ptmt -103.62 120.93 41.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.485 0.66 . . . . 10.0 110.942 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -102.66 179.98 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HB3' ' OG1' ' A' ' 42' ' ' THR . 16.1 tttt -136.89 158.47 44.39 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 28.8 tpp -66.67 -29.48 69.51 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.852 0.315 . . . . 10.0 111.852 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -26.13 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 10.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.85 ' HA ' ' O ' ' B' ' 204' ' ' ASP . 1.1 m -76.52 110.96 11.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.253 -0.885 . . . . 10.0 112.871 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' B' ' 206' ' ' GLU . 6.0 m170 -68.09 145.86 54.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.959 -1.019 . . . . 10.0 108.447 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.46 -8.52 47.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 10.0 111.713 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -58.21 -52.8 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.053 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' B' ' 204' ' ' ASP . 5.5 tttp -72.59 -22.0 61.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.283 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -64.06 -48.41 76.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.46 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.94 -48.7 77.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.963 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.2 pt-20 -68.54 -41.4 79.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.631 0.234 . . . . 10.0 111.631 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.543 0.201 . . . . 10.0 111.543 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -64.46 -41.12 96.7 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.3 m -62.69 -43.29 99.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.307 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.1 -33.57 76.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.867 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -68.2 -36.61 79.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.708 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -84.72 -18.64 34.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.92 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.39 36.25 8.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.999 -0.62 . . . . 10.0 112.298 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.41 159.98 66.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.59 165.89 25.84 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.297 1.998 . . . . 10.0 111.967 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.5 ttt -69.13 143.06 54.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.606 0.241 . . . . 10.0 111.066 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 t30 70.86 15.05 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.529 -0.76 . . . . 10.0 112.127 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.7 p -78.22 -31.21 49.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 10.0 109.778 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 147.42 35.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.261 -0.881 . . . . 10.0 110.285 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.2 ptt-85 -108.52 120.61 42.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.178 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -88.88 119.4 29.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.9 mt -108.8 122.2 46.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.181 0.515 . . . . 10.0 111.173 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -130.56 118.77 21.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.581 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 60.27 26.53 16.01 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.09 -18.91 55.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.984 -0.627 . . . . 10.0 113.209 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -95.62 161.24 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.847 0.324 . . . . 10.0 110.681 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -99.96 124.44 45.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.863 0.363 . . . . 10.0 110.233 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.4 mm -57.73 123.06 8.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.951 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.73 162.6 14.4 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.948 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -14.19 62.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.501 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -108.84 20.88 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.193 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -97.24 155.36 16.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.922 0.391 . . . . 10.0 110.654 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 32.7 p -129.85 156.55 78.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.331 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.58 -7.6 21.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.619 2.213 . . . . 10.0 112.032 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.603 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 16.2 tppt? -82.23 -19.92 38.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.897 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.1 pt-20 -108.98 176.66 5.02 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.525 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 35.2 mt 73.0 -48.87 0.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.546 0.738 . . . . 10.0 111.694 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.94 64.81 0.21 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.724 -0.75 . . . . 10.0 112.597 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.6 mtt -98.56 119.96 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.807 0.337 . . . . 10.0 110.732 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.9 mm-40 -126.21 175.35 7.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.528 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 11.7 tp10 -72.27 145.06 48.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.0 mm-40 68.16 27.5 6.8 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.591 0.557 . . . . 10.0 110.373 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -81.94 168.24 18.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.401 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 135.07 64.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.883 0.373 . . . . 10.0 111.113 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 tt -139.07 146.24 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.04 157.86 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.041 0.448 . . . . 10.0 111.36 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 p -143.65 127.38 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.134 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.46 168.44 17.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.988 -0.375 . . . . 10.0 109.988 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.44 137.99 32.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.829 0.347 . . . . 10.0 111.52 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.1 mm-40 -82.5 148.35 28.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.962 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.33 -29.53 70.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.059 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -20.96 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.607 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.4 -6.25 52.58 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.102 -0.57 . . . . 10.0 113.197 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.63 -0.588 . . . . 10.0 111.63 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 110.205 -0.294 . . . . 10.0 110.205 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 3.4 m -120.13 119.88 34.6 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.444 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -126.93 125.37 41.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.099 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -125.47 128.23 6.49 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.141 -1.028 . . . . 10.0 112.237 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 68.6 m -120.18 123.48 43.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.953 0.877 . . . . 10.0 109.548 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.47 133.37 69.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.808 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.85 130.77 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.167 0.508 . . . . 10.0 109.734 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 47' ' ' LEU . 5.1 tp -122.75 136.29 60.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.374 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.85 ' O ' ' HA ' ' A' ' 42' ' ' THR . 30.4 t70 -134.27 123.06 23.61 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.55 177.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 8.7 tp10 . . . . . 0 N--CA 1.482 1.134 0 CA-C-N 118.216 0.462 . . . . 10.0 111.716 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 120.667 0.27 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.6 mm -90.07 116.16 30.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -85.72 124.57 32.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -122.55 157.51 31.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -113.82 111.67 22.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.163 0.506 . . . . 10.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.1 t -98.78 122.66 50.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.209 178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mm -101.47 113.19 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 10.0 110.882 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.5 152.56 34.05 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.709 -0.758 . . . . 10.0 112.276 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.52 -32.83 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 10.0 111.203 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.4 17.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.476 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m 66.99 51.4 0.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.311 0.577 . . . . 10.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 p -116.22 134.16 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.101 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -104.31 99.09 8.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.132 0.492 . . . . 10.0 109.973 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 38.4 mm -94.35 130.04 43.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 110.748 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -98.14 104.52 16.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.91 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.92 121.16 42.53 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.053 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 37' ' ' LYS . 9.7 ptmt -113.77 114.46 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.147 0.499 . . . . 10.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 m -114.8 -179.24 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.683 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HB2' HG23 ' A' ' 42' ' ' THR . 46.5 mtpt -128.01 162.82 25.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.5 tpp -69.36 -19.61 63.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.305 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.642 HG23 ' O ' ' B' ' 204' ' ' ASP . 2.4 t -89.52 -21.69 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 10.0 111.847 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.839 HG22 ' H ' ' B' ' 204' ' ' ASP . 27.3 p -73.22 135.04 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.281 -0.568 . . . . 10.0 111.135 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' B' ' 206' ' ' GLU . 20.8 m170 -82.0 137.93 35.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.788 -0.819 . . . . 10.0 108.788 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.653 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.9 mt -62.48 -15.42 49.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 10.0 111.342 -179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -60.29 -47.77 84.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.193 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 ttmt -75.39 -26.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.429 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.863 HD13 HD13 ' B' ' 202' ' ' ILE . 0.2 OUTLIER -64.42 -46.14 84.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 10.0 110.2 179.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 55.3 mtpt -60.09 -47.87 84.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.876 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 1.4 pt-20 -68.18 -38.72 82.33 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.931 -0.308 . . . . 10.0 111.369 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' OG ' HD12 ' B' ' 202' ' ' ILE . 57.9 m -60.71 -36.41 78.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.574 0.213 . . . . 10.0 111.574 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.59 -44.23 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.5 m -63.74 -40.08 95.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.07 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -62.82 -35.82 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.78 -33.32 60.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 10.0 111.121 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.87 -21.05 48.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.362 . . . . 10.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 30.99 18.92 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.04 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.61 160.1 64.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 123.009 -0.113 . . . . 10.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.5 173.62 12.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.436 2.09 . . . . 10.0 111.746 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -78.76 157.79 28.39 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.29 -0.263 . . . . 10.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 68.9 24.74 6.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.433 0.635 . . . . 10.0 110.34 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.7 p -106.95 -19.04 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.403 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.4 mt -131.0 131.28 44.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.225 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 ptt-85 -105.68 128.59 53.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.24 0.543 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -92.91 118.02 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.3 mt -106.97 123.38 48.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.708 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -129.59 111.59 12.87 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.688 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 64.36 31.04 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.617 -0.72 . . . . 10.0 111.253 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.82 -13.22 66.5 Favored Glycine 0 C--N 1.328 0.102 0 CA-C-N 115.827 -0.624 . . . . 10.0 113.082 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -100.22 152.42 20.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.69 0.281 . . . . 10.0 110.893 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -98.07 128.13 44.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.998 0.428 . . . . 10.0 110.187 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.91 121.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.622 -0.717 . . . . 10.0 111.616 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.55 166.62 17.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.309 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -28.05 66.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.139 -0.482 . . . . 10.0 112.088 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -102.95 20.68 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 5.2 m170 -79.71 152.32 29.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.062 0.458 . . . . 10.0 111.261 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.36 148.26 45.06 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.894 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.451 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 38.8 Cg_endo -68.36 -7.67 20.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.421 2.081 . . . . 10.0 113.467 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -85.78 -33.72 21.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 10.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.5 pt-20 -80.97 171.64 14.73 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 70.66 -55.33 0.63 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.776 0.672 . . . . 10.0 111.267 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.47 71.61 0.26 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.597 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 59.6 mtt -100.34 130.06 46.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.55 -174.01 3.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.372 0.606 . . . . 10.0 112.419 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' HG3' ' HG2' ' A' ' 85' ' ' GLU . 32.4 tp10 -72.48 136.12 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.965 . . . . 10.0 111.083 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HG3' ' A' ' 84' ' ' GLU . 30.5 mm-40 57.42 40.35 27.41 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.179 0.592 . . . . 10.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.28 148.91 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.507 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.22 117.48 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.822 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -120.49 145.78 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.957 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -105.14 146.81 28.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.643 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.93 112.4 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.335 0.588 . . . . 10.0 110.165 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -120.26 161.29 21.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.084 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.49 133.98 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.771 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.98 146.49 45.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.74 -32.6 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.76 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.967 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.96 -44.24 3.33 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.227 -0.511 . . . . 10.0 112.692 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 121.073 -0.584 . . . . 10.0 111.876 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.577 0.227 . . . . 10.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.71 128.34 54.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.06 0.457 . . . . 10.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -121.83 130.56 53.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.851 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.33 129.79 8.22 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.473 -0.87 . . . . 10.0 111.532 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 35.4 m -119.56 129.99 54.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.4 tt -119.34 130.37 74.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.678 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.5 p -118.34 127.48 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-O 121.729 0.776 . . . . 10.0 110.092 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.863 HD13 HD13 ' A' ' 47' ' ' LEU . 3.0 tt -124.19 136.55 60.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.763 -1.108 . . . . 10.0 111.68 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.839 ' H ' HG22 ' A' ' 42' ' ' THR . 28.1 t0 -134.63 127.82 31.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.801 -1.091 . . . . 10.0 112.477 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.419 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 10.4 tp10 . . . . . 0 C--O 1.239 0.536 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.502 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 25.0 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.999 0.428 . . . . 10.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mm -102.96 118.42 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -94.75 110.93 22.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.91 0.386 . . . . 10.0 110.923 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.75 143.34 32.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -95.72 108.28 20.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.403 . . . . 10.0 110.57 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 13.8 t -95.83 112.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.575 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.6 mm -98.24 120.29 47.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.86 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.34 172.32 43.05 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.861 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -66.2 -24.53 66.64 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.082 0.468 . . . . 10.0 110.667 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -84.45 8.51 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.59 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m 65.36 45.21 2.93 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.226 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 p -97.69 141.02 31.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.422 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 91.76 4.94 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 24.4 mm -93.57 122.54 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.246 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -91.49 104.47 16.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.173 0.511 . . . . 10.0 110.186 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' HE1' ' CG2' ' B' ' 202' ' ' ILE . 0.2 OUTLIER -100.86 115.42 30.34 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.076 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -109.14 114.68 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.602 0.715 . . . . 10.0 111.562 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 HD11 ' A' ' 47' ' ' LEU . 3.0 m -103.44 170.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.113 -0.948 . . . . 10.0 109.678 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HD3' ' CE2' ' A' ' 21' ' ' TYR . 33.1 ttpt -131.28 146.11 52.17 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.413 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HB ' ' A' ' 41' ' ' THR . 24.7 tpp -70.1 81.35 0.5 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.141 0.496 . . . . 10.0 110.571 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.9 t 168.31 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.972 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.657 HG22 ' H ' ' B' ' 204' ' ' ASP . 24.7 p -76.34 129.08 36.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.47 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.16 138.87 42.3 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.506 -1.294 . . . . 10.0 107.506 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 11.5 mt -62.82 -11.64 19.29 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.843 -0.343 . . . . 10.0 111.459 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -59.65 -51.69 68.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.395 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -75.58 -18.23 59.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.773 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD13 HG21 ' B' ' 202' ' ' ILE . 3.8 mm? -68.26 -39.04 82.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 10.0 110.492 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 52.8 mtpt -67.98 -48.58 65.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.673 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.3 pt-20 -65.9 -36.48 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.765 -0.198 . . . . 10.0 111.328 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.7 m -57.24 -41.3 79.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.985 0.422 . . . . 10.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -65.29 -39.57 92.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.485 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.2 m -61.31 -41.66 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.683 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 88.5 mt-30 -64.15 -40.2 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.65 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -68.82 -40.58 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.136 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -75.02 -21.17 59.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 10.0 111.246 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.21 33.44 26.1 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.61 -0.805 . . . . 10.0 111.578 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 58' ' ' PRO . 21.4 m -128.52 160.37 62.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 57' ' ' VAL . 49.9 Cg_endo -70.39 177.14 6.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.33 2.02 . . . . 10.0 111.478 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.6 ttt -89.86 159.96 16.71 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.842 -0.343 . . . . 10.0 110.376 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 t30 70.02 15.14 7.77 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.285 0.564 . . . . 10.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.7 p -94.62 -38.55 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.261 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.6 mt -107.99 130.46 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.112 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -99.55 122.24 42.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.665 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -90.5 116.59 28.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.714 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.6 mt -101.41 124.37 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.171 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -127.39 110.02 12.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.15 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 63.48 26.43 14.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.593 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.51 -20.35 51.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.254 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -99.78 154.31 18.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.887 0.343 . . . . 10.0 110.243 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.36 140.79 29.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.985 0.421 . . . . 10.0 111.301 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.53 123.54 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.722 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.72 167.66 20.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.918 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.14 1.44 28.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.476 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -131.05 14.71 5.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 10.0 111.2 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -74.44 156.99 36.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.736 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -117.02 136.71 23.38 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.951 -0.389 . . . . 10.0 109.951 179.184 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.31 -27.21 56.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.721 2.281 . . . . 10.0 113.217 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -75.12 -36.14 61.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 76' ' ' THR . 15.1 pt-20 -77.72 174.98 10.37 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.635 -0.426 . . . . 10.0 110.469 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 84.1 mt 73.35 -55.86 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.384 0.674 . . . . 10.0 110.863 -178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.98 63.77 0.15 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.587 -0.816 . . . . 10.0 112.867 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 43.0 mtt -93.48 142.5 27.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.347 -0.242 . . . . 10.0 110.347 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.8 mm-40 -136.74 174.16 10.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.68 0.276 . . . . 10.0 110.999 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -70.91 140.77 51.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 64.73 34.34 9.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.398 0.618 . . . . 10.0 109.875 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t70 -75.43 168.45 19.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.163 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.2 t -125.47 126.42 70.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.783 0.325 . . . . 10.0 111.037 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.2 tt -131.68 146.5 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.043 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -107.36 138.99 42.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.791 0.329 . . . . 10.0 110.997 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.67 122.55 66.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.34 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -134.23 146.84 50.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.83 140.62 47.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.822 0.344 . . . . 10.0 110.224 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -78.74 155.4 29.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.856 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -72.98 -16.39 61.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -5.07 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.301 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.46 -92.68 1.09 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.163 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.413 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 70.1 m -120.83 131.79 54.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.166 0.508 . . . . 10.0 111.453 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -116.48 133.24 56.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.729 . . . . 10.0 109.589 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -116.13 134.65 11.56 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.261 -0.495 . . . . 10.0 112.193 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.43 130.06 56.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.021 0.438 . . . . 10.0 110.519 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.15 128.62 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.922 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 12.0 p -120.63 131.04 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.316 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.746 HD11 ' HB2' ' B' ' 204' ' ' ASP . 0.3 OUTLIER -120.6 136.76 56.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.485 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . 0.441 ' N ' HD12 ' B' ' 202' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' B' ' 202' ' ' ILE . 21.8 t0 -136.04 133.59 37.58 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.795 -1.548 . . . . 10.0 111.727 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.12 0.486 . . . . 10.0 109.978 176.635 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.865 0.364 . . . . 10.0 110.684 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mm -110.38 112.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.471 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -94.59 114.65 26.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.318 0.58 . . . . 10.0 111.5 -178.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -95.09 131.71 40.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.362 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -89.89 107.1 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.159 0.504 . . . . 10.0 110.502 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.93 88.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.415 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.0 mm -79.2 113.79 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.916 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.05 162.9 48.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.741 -0.742 . . . . 10.0 111.969 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.82 -21.26 66.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 10.0 111.326 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.51 21.73 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.697 0.284 . . . . 10.0 111.198 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.1 m 59.71 59.82 2.41 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.339 0.59 . . . . 10.0 111.369 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 p -121.29 120.41 35.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.036 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.09 91.0 8.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 10.0 110.49 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.0 mm -91.6 126.81 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -103.21 113.92 27.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.595 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.3 109.32 18.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 11.6 ptmt -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.536 0.684 . . . . 10.0 111.202 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG12 HD11 ' A' ' 47' ' ' LEU . 16.4 m -111.72 177.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.309 -0.86 . . . . 10.0 110.057 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -134.88 153.26 52.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.2 tpp -75.05 66.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.529 . . . . 10.0 110.251 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.664 HG23 ' O ' ' B' ' 204' ' ' ASP . 6.4 t -179.79 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.059 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' H ' ' B' ' 204' ' ' ASP . 17.3 p -73.03 130.97 41.51 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.702 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -77.5 137.05 38.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.339 -0.986 . . . . 10.0 108.339 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 15.2 mt -63.3 -17.83 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.72 0.267 . . . . 10.0 111.72 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -60.27 -50.92 71.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.217 0.532 . . . . 10.0 109.8 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' B' ' 204' ' ' ASP . 1.4 ttmp? -67.76 -30.03 69.38 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.626 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD11 HG21 ' B' ' 202' ' ' ILE . 2.7 mm? -63.66 -50.19 70.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.128 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 54.4 mtpt -60.44 -43.86 96.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.161 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.4 pt-20 -72.27 -36.39 68.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.903 0.334 . . . . 10.0 111.903 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.225 -0.19 . . . . 10.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -62.73 -41.68 99.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.151 0.5 . . . . 10.0 109.686 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.3 m -63.18 -37.78 88.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.248 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 89.3 mt-30 -67.2 -36.68 82.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' HD3' HD12 ' B' ' 200' ' ' ILE . 4.5 tpt180 -68.14 -40.61 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.595 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -75.01 -33.97 61.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.193 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.74 34.46 5.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.816 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.1 m -131.8 157.01 79.36 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.51 161.86 44.53 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.027 1.818 . . . . 10.0 111.159 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.2 ttt -70.36 155.55 40.52 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 72.99 22.23 3.02 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.585 0.553 . . . . 10.0 110.528 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 p -100.73 -26.46 13.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.383 0.611 . . . . 10.0 109.831 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 92' ' ' GLN . 32.4 mt -123.57 140.61 52.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.613 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 93' ' ' GLU . 20.5 ptt-85 -109.17 120.53 42.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.874 0.369 . . . . 10.0 111.064 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.46 121.63 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.482 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.46 125.04 53.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.236 0.541 . . . . 10.0 111.69 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -127.47 115.48 18.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.272 -0.876 . . . . 10.0 108.738 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 64.92 20.16 12.04 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.148 0.499 . . . . 10.0 109.966 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 -16.82 60.52 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.696 -0.683 . . . . 10.0 112.322 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -92.16 137.97 31.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.531 0.205 . . . . 10.0 110.498 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -80.35 133.75 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.942 0.401 . . . . 10.0 110.466 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.7 mm -69.37 127.55 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.343 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.31 163.87 20.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.358 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.76 -31.45 66.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -92.87 9.47 35.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.397 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.82 149.12 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.885 0.374 . . . . 10.0 110.787 -179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.1 p -119.21 156.47 52.62 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.612 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.81 -9.79 24.16 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.637 2.225 . . . . 10.0 112.139 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -76.36 -43.81 39.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.96 179.71 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.582 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.4 mt 70.71 -69.42 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.782 0.676 . . . . 10.0 111.028 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 134.11 68.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.37 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.6 mtt -94.57 147.99 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.593 0.235 . . . . 10.0 110.439 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.5 mm-40 -155.42 174.4 15.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.021 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.24 145.25 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.089 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 66.12 24.71 10.86 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.621 0.576 . . . . 10.0 111.498 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 18.5 t0 -79.01 156.05 28.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.143 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.01 122.64 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 10.0 110.686 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.38 140.84 44.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -101.85 148.37 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.899 0.38 . . . . 10.0 111.097 -178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.13 128.58 25.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.205 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -134.92 161.54 34.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.508 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 62' ' ' LEU . 38.6 tt0 -73.98 136.33 43.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.985 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.45 ' HA ' ' NH1' ' A' ' 63' ' ' ARG . 5.1 mm-40 -79.12 148.86 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.898 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -66.52 -26.49 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -11.68 60.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 10.0 111.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.6 -57.19 4.92 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.146 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 121.009 -0.615 . . . . 10.0 112.196 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.213 -0.292 . . . . 10.0 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.53 126.98 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.754 0.312 . . . . 10.0 110.429 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -120.82 129.04 53.39 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.227 -0.657 . . . . 10.0 109.227 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' GLY . . . . . . . . . . . . . . . -119.17 129.46 8.09 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.473 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' CYS . . . . . . . . . . . . . 12.8 m -119.11 127.43 53.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.95 0.405 . . . . 10.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ILE . . . . . 0.43 HD12 ' HD3' ' A' ' 54' ' ' ARG . 3.6 tt -121.29 133.7 67.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.85 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.57 129.5 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.682 0.753 . . . . 10.0 109.745 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.496 HG21 HD11 ' A' ' 47' ' ' LEU . 4.5 tp -121.44 134.25 65.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 114.99 -1.004 . . . . 10.0 111.245 -178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ASP . . . . . 0.664 ' O ' HG23 ' A' ' 41' ' ' THR . 26.9 t0 -138.77 128.11 24.33 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.926 -0.579 . . . . 10.0 112.274 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 10.0 109.78 176.312 . . . . . . . . 0 0 . 1 stop_ save_